SCHEMBL6283572

SCHEMBL6283572

COc1cccc2scc(-c3ccc(O)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.49
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
ERN1 O75460 1/20 0.42
MGAM O43451 3/20 0.42
GAA P10253 3/20 0.42
SI P14410 3/20 0.42

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
SCHEMBL6283755 0.86 MAPT (0.51) MEN1KMT2AALDH1A1TP53ABL1
SCHEMBL8425157 0.79 ESR1 (0.44) MEN1KMT2ACYP3A4CYP2C9ABL1
SCHEMBL6286685 0.76 MAPT (0.45) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL18593394 0.75 ABL1 (0.59) HSP90AA1MEN1KMT2ATP53ABL1
SCHEMBL29810161 0.75 ABL1 (0.59) HSP90AA1MEN1KMT2ATP53ABL1
SCHEMBL5370456 0.72 ERN1 (0.56) HSP90AA1MEN1KMT2AALDH1A1CYP2C19
SCHEMBL5273487 0.72 PRF1 (0.42) MEN1KMT2AALDH1A1CYP3A4KDM4E
SCHEMBL28092583 0.70 MGAM (0.54) HSP90AA1KDM4ETP53HSD17B10ABL1
SCHEMBL7504214 0.70 ERN1 (0.55) HSP90AA1MEN1KMT2ACYP2C19ABL1
SCHEMBL5542674 0.70 CA2 (0.38) MEN1KMT2AALDH1A1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921827-B2 Process for preparing 3-aryl-benzo{b} thiophenes ELI LILLY AND COMPANY (US) 2005-07-26 US disclosed
US-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes LUKE WAYNE DOUGLAS (US) 2004-07-08 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-20040132775-A1 Process for preparing 3-aryl-benzo{b} thiophenes TBCB, CYP1B1, TST HSP90AA1 1600/4885MEN1 1793/4885KMT2A 1939/4885

“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.