SCHEMBL6327495

SCHEMBL6327495

Oc1cccc(Nc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.81
TSHR P16473 2/20 0.81
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 2/20 0.56
AR P10275 1/20 0.56
BRAF P15056 3/20 0.55
RAF1 P04049 1/20 0.55
TP53 P04637 2/20 0.54
GSK3B P49841 1/20 0.54
HSD17B1 P14061 2/20 0.54
HSD17B2 P37059 2/20 0.54
CYP2C9 P11712 1/20 0.54
SYK P43405 2/20 0.53
ALOX5 P09917 1/20 0.53
ABCG2 Q9UNQ0 3/20 0.52
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL1921475 0.94 CYP3A4 (0.76) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL29678179 0.90 CYP3A4 (1.00) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL219995 0.90 CYP3A4 (1.00) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL1920769 0.88 CYP3A4 (0.86) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL21311932 0.85 HSD17B1 (0.67) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL9505497 0.84 CYP3A4 (0.67) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL24057847 0.84 ALDH1A1 (0.65) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL18873125 0.84 ALDH1A1 (0.65) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL8352093 0.84 CYP3A4 (0.79) CYP3A4TSHRKMT2AMAPTMEN1
SCHEMBL2794153 0.84 ALDH1A1 (0.65) CYP3A4TSHRKMT2AMAPTMEN1

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
CN-109734610-B Meta-substituted phenol compound and preparation method and application thereof 广东工业大学 2022-02-15 CN disclosed
US-6919357-B2 α adrenergic agents MOLECULAR DESIGN INTERNATIONAL INC. (US) 2005-07-19 US disclosed
US-20030092741-A1 Novel alpha adrenergic agents MOLECTULAR DESIGN INTERNATIONAL INC. 2003-05-15 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-20030092741-A1 Novel alpha adrenergic agents ADRA1D, ADRB1, ADRA1B CYP3A4 1191/4885TSHR 3454/4885KMT2A 3516/4885

“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.