SCHEMBL6807350

SCHEMBL6807350

c1ccc(COc2ccc3cc(-c4ccccc4)sc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
CYP3A4 P08684 2/20 0.53
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
F9 P00740 2/20 0.47
F10 P00742 2/20 0.47
MAOB P27338 5/20 0.47
MAOA P21397 2/20 0.47
NR4A2 P43354 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
MTNR1A P48039 1/20 0.46

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
SCHEMBL30430896 0.96 ALOX5 (0.55) ALOX5ESR1ESR2CYP3A4CA12
SCHEMBL7453943 0.92 ESR1 (0.58) ALOX5ESR1ESR2CYP3A4CA12
SCHEMBL17845134 0.91 MAOB (0.51) ALOX5ESR1ESR2CYP3A4CA12
SCHEMBL7456912 0.91 MAOB (0.55) ALOX5ESR1ESR2CYP3A4CA12
SCHEMBL7455290 0.88 MAOB (0.55) ALOX5ESR1ESR2CYP3A4F9
SCHEMBL21906717 0.87 MRGPRX4 (0.47) ALOX5ESR1ESR2CYP3A4CA12
SCHEMBL7452873 0.85 CA12 (0.47) ALOX5ESR1ESR2CYP3A4CA12
SCHEMBL27970437 0.81 ALOX5 (0.58) ALOX5CYP3A4CA12CA1CA2
SCHEMBL27643424 0.81 ALOX5 (0.58) ALOX5CYP3A4CA12CA1CA2
SCHEMBL27664686 0.79 ALOX5 (0.57) ALOX5CYP3A4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044224-A1 Process for preparing 2-phenyl-3-aminobenzothiophenes CONRAD PRESTON CHARLES (US) 2004-03-04 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-20040044224-A1 Process for preparing 2-phenyl-3-aminobenzothiophenes TPST2, SULT1A1, TYR ALOX5 2246/4885ESR1 4153/4885ESR2 3952/4885

“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.