SCHEMBL6740852

SCHEMBL6740852

Oc1cccc(-c2ccc3c(-c4cccnc4)coc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.54
HSD17B1 P14061 5/20 0.54
HSD17B2 P37059 5/20 0.54
CYP2C9 P11712 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2B6 P20813 1/20 0.54
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
CYP19A1 P11511 4/20 0.48
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43

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
SCHEMBL6736802 0.90 CYP19A1 (0.49) CYP3A4HSD17B1HSD17B2CYP2C9CYP1A2
SCHEMBL6741783 0.90 CYP19A1 (0.49) CYP3A4CYP1A2CYP11B1CYP11B2CYP19A1
SCHEMBL6739711 0.89 KDM4E (0.55) CYP3A4HSD17B1HSD17B2CYP2C9CYP1A2
SCHEMBL6740241 0.87 ACVR1 (0.48) CYP3A4CYP1A2CYP11B1CYP11B2CYP19A1
SCHEMBL6741025 0.86 MIF (0.48) CYP3A4HSD17B1HSD17B2CYP2C9CYP1A2
SCHEMBL6736043 0.85 AXL (0.59) CYP3A4HSD17B1HSD17B2CYP2C9CYP1A2
Bromide SCHEMBL6741296 0.85 MIF (0.47) CYP3A4HSD17B1HSD17B2CYP2C9CYP1A2
SCHEMBL6741695 0.85 TDO2 (0.47) CYP3A4HSD17B1HSD17B2CYP2C9CYP1A2
SCHEMBL6740187 0.84 TDO2 (0.48) CYP3A4CYP1A2CYP11B1CYP11B2CYP19A1
SCHEMBL6744153 0.82 PIN1 (0.56) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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 CYP3A4 82/4885HSD17B1 4/4885HSD17B2 6/4885

“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.