SCHEMBL6744153

SCHEMBL6744153

COc1cccc(-c2ccc3c(-c4cccnc4)coc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.56
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
CYP11B2 P19099 5/20 0.51
CYP17A1 P05093 4/20 0.51
CYP11B1 P15538 4/20 0.51
CYP19A1 P11511 2/20 0.51
CYP3A4 P08684 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
GSK3B P49841 1/20 0.48
KDM4E B2RXH2 4/20 0.48

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
SCHEMBL6741054 0.91 PIN1 (0.58) PIN1CYP11B2CYP17A1CYP11B1CYP19A1
SCHEMBL6741783 0.86 CYP19A1 (0.49) PIN1CYP11B2CYP17A1CYP11B1CYP19A1
SCHEMBL6739652 0.85 MAPK1 (0.58) PIN1CYP11B2CYP17A1CYP11B1CYP19A1
SCHEMBL6740241 0.83 ACVR1 (0.48) PIN1CYP11B2CYP17A1CYP11B1CYP19A1
SCHEMBL6740852 0.82 CYP3A4 (0.54) PPARGPPARDPPARACYP11B2CYP17A1
SCHEMBL6741695 0.81 TDO2 (0.47) PPARGPPARDPPARACYP11B2CYP17A1
SCHEMBL6736043 0.81 AXL (0.59) PIN1CYP11B2CYP17A1CYP11B1CYP19A1
SCHEMBL6736802 0.81 CYP19A1 (0.49) PPARGPPARDPPARACYP11B2CYP17A1
SCHEMBL6740187 0.80 TDO2 (0.48) PPARGPPARDPPARACYP11B2CYP17A1
SCHEMBL6741025 0.80 MIF (0.48) PIN1CYP11B2CYP11B1CYP19A1CYP3A4

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
US-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US claimed
US-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US disclosed
US-20030149079-A1 Novel benzofuran derivatives DAIICHI PHARMACEUTICAL CO., LTD. 2003-08-07 US disclosed
EP-1283208-A1 NOVEL BENZOFURAN DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 EP 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-20030149079-A1 Novel benzofuran derivatives CYP17A1, CYP21A2, HSD17B7 PIN1 585/4885PPARG 1285/4885PPARD 1527/4885

“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.