SCHEMBL6280628

SCHEMBL6280628

O=C(CSc1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 3/20 0.51
LMNA P02545 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
ALPG P10696 7/20 0.49
ALPL P05186 6/20 0.49
POLB P06746 4/20 0.49
ESR2 Q92731 3/20 0.49
ALPI P09923 2/20 0.49
CYP3A4 P08684 2/20 0.49
PLAA Q9Y263 2/20 0.49
ESR1 P03372 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
SCHEMBL6281258 0.83 MAPT (0.56) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6280285 0.82 MAPT (0.54) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9376852 0.81 ANPEP (0.61) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9787355 0.81 ALDH1A1 (0.59) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL9463126 0.80 FFAR1 (0.55) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL19309449 0.80 MEN1 (0.56) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL1355962 0.80 CA1 (0.67) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL1447998 0.78 APEX1 (0.75) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL28981219 0.77 RAB9A (0.59) PTPN1MEN1KMT2ANPC1ALDH1A1
SCHEMBL1447641 0.77 CA1 (0.59) MEN1KMT2ANPC1ALDH1A1MAPT

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 3 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
WO-2002042261-A2 PROCESS FOR PREPARING α-(3-ARYLTHIO)-ACETOPHENONES ELI LILLY AND COMPANY (US) 2002-05-30 WO 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 PTPN1 3683/4885MEN1 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.