SCHEMBL16552907

SCHEMBL16552907

COc1ccc2c(c1OC)CC(Cc1ncccc1C(F)(F)F)C2=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ METAP1 P53582 1/20 0.41
▸ CYP27A1 Q02318 1/20 0.38
▸ CYP24A1 Q07973 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ BCHE P06276 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ NFE2L2 Q16236 3/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16552796 0.89 CYP19A1 (0.44) ACHECYP19A1METAP1CYP27A1CYP24A1
SCHEMBL16558740 0.87 METAP1 (0.39) ACHECYP19A1METAP1CYP27A1CYP24A1
SCHEMBL22212692 0.81 SSTR4 (0.41) ACHECYP19A1CYP27A1CYP24A1BCHE
SCHEMBL21887763 0.79 EPHX2 (0.40) ACHECYP19A1PDE4DBCHE
SCHEMBL16552586 0.79 ACHE (0.39) ACHECYP19A1CYP27A1CYP24A1KDM4E
SCHEMBL16552886 0.79 ACHE (0.39) ACHECYP19A1CYP27A1CYP24A1PDE4D
SCHEMBL16552712 0.79 ULK1 (0.38) ACHECYP19A1METAP1KDM4EPDE4D
SCHEMBL16552693 0.78 CYP19A1 (0.58) ACHECYP19A1METAP1CYP27A1CYP24A1
SCHEMBL16552897 0.78 PDE4D (0.46) ACHEPDE4DBCHE
SCHEMBL16552745 0.78 ACHE (0.47) ACHEPDE4DBCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680237-A1 PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS Arrien Pharmaceuticals LLC (US) 2020-07-15 — — EP disclosed
EP-3680237-A1 PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS Arrien Pharmaceuticals LLC (US) 2020-07-15 — — EP disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 — — US disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 — — US disclosed
EP-3044223-B1 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2020-04-01 — — EP disclosed
EP-3044223-B1 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2020-04-01 — — EP disclosed
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2019-07-11 — — US disclosed
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2019-07-11 — — US disclosed
US-10172866-B2 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2019-01-08 — — US disclosed
US-10172866-B2 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2019-01-08 — — US disclosed
US-9446047-B2 Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2016-09-20 — — US disclosed
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 — — US disclosed
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 — — US disclosed
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 — — US disclosed
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 — — US disclosed
US-9359315-B2 Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2016-06-07 — — US disclosed
US-9359315-B2 Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2016-06-07 — — US disclosed
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2015-03-12 — — US disclosed
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2015-03-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC ACHE 925/4885CYP19A1 246/4885METAP1 3605/4885
US-10172866-B2 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC ACHE 925/4885CYP19A1 246/4885METAP1 3605/4885
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC ACHE 925/4885CYP19A1 246/4885METAP1 3605/4885
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS RORA, RORB, RORC ACHE 925/4885CYP19A1 246/4885METAP1 3605/4885
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC ACHE 925/4885CYP19A1 246/4885METAP1 3605/4885
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC ACHE 925/4885CYP19A1 246/4885METAP1 3605/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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