SCHEMBL6739652

SCHEMBL6739652

COc1ccc(-c2ccc3c(-c4cccnc4)coc3c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
TP53 P04637 1/20 0.51
GALR3 O60755 1/20 0.51
NR2F2 P24468 1/20 0.51
CYP19A1 P11511 3/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
TLR8 Q9NR97 2/20 0.50
TLR7 Q9NYK1 2/20 0.50
CYP17A1 P05093 1/20 0.50
KIT P10721 1/20 0.49
NPY5R Q15761 1/20 0.49

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 0.86 PIN1 (0.58) KDM4EHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6741783 0.86 CYP19A1 (0.49) MKNK1MKNK2CYP19A1CYP11B1CYP11B2
SCHEMBL6744153 0.85 PIN1 (0.56) KDM4EHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6740241 0.83 ACVR1 (0.48) KDM4EHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6736802 0.81 CYP19A1 (0.49) KDM4EHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL30196133 0.80 KDM4E (0.70) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL11342031 0.80 KDM4E (0.70) MAPK1KDM4EHSD17B10NPC1RAB9A
SCHEMBL6740852 0.80 CYP3A4 (0.54) KDM4EHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6740187 0.80 TDO2 (0.48) KDM4EHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL6741025 0.80 MIF (0.48) MAPK1KDM4ENPC1RAB9ASMN1; SMN2

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 MAPK1 1460/4885KDM4E 445/4885HSD17B10 17/4885

“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.