SCHEMBL16865490

SCHEMBL16865490

COc1cc2c(cc1C)OCC[C@H]2C(=O)c1ccc2c(c1)C=CC(C)(C)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.49
▸ HIF1A Q16665 9/20 0.39
▸ EPAS1 Q99814 7/20 0.39
▸ CYP3A4 P08684 4/20 0.38
▸ HSP90AA1 P07900 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ ODC1 P11926 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PPARG P37231 1/20 0.36

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
SCHEMBL16865546 1.00 COXFA4 (0.49) COXFA4HIF1AEPAS1CYP3A4HSP90AA1
SCHEMBL16867638 0.93 COXFA4 (0.52) COXFA4HIF1AEPAS1CYP3A4HSP90AA1
SCHEMBL16694297 0.93 COXFA4 (0.52) COXFA4HIF1AEPAS1CYP3A4HSP90AA1
SCHEMBL16865525 0.79 COXFA4 (0.38) COXFA4HIF1AEPAS1CYP3A4HSP90AA1
SCHEMBL22383956 0.78 COXFA4 (0.50) COXFA4HIF1AEPAS1CYP3A4HSP90AA1
SCHEMBL11939511 0.76 HIF1A (0.56) HIF1ACYP3A4HSP90AA1MAPTSMN1; SMN2
SCHEMBL16865496 0.76 COXFA4 (0.48) COXFA4HIF1AEPAS1CYP3A4HSP90AA1
SCHEMBL16865556 0.73 COXFA4 (0.50) COXFA4HIF1AEPAS1HSP90AA1ODC1
SCHEMBL16865491 0.72 COXFA4 (0.59) COXFA4HIF1AEPAS1HSP90AA1
SCHEMBL19286846 0.71 HIF1A (0.52) COXFA4HIF1AEPAS1CYP3A4HSP90AA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 — — US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 — — US disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 — — 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 (2 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN COXFA4 3510/4885HIF1A 5/4885EPAS1 55/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P COXFA4 3670/4885HIF1A 6/4885EPAS1 72/4885

“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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