SCHEMBL18611579

SCHEMBL18611579

C=C(C)c1ccc(C(F)(F)F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CFTR P13569 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ PDE2A O00408 3/20 0.38
▸ SORT1 Q99523 3/20 0.38
▸ CES1 P23141 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 1/20 0.37

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
SCHEMBL24137114 0.81 ALDH1A1 (0.61) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18291815 0.80 ALDH1A1 (0.56) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17141748 0.78 MEN1 (0.43) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14048578 0.78 PTGS1 (0.44) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28987801 0.77 CES2 (0.42) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14533723 0.77 JAK2 (0.47) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19139880 0.77 CES2 (0.42) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28415313 0.77 CES2 (0.42) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18075688 0.77 NPSR1 (0.41) CES2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20414941 0.77 PDE2A (0.37) CES2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524600-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS SANOFI SA (FR) 2021-11-17 — — EP disclosed
WO-2020243423-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 — — WO disclosed
US-9661854-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 — — 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 (1 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-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD CES2 1624/4885KDM4E 1609/4885ALDH1A1 443/4885

“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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