SCHEMBL4970638

SCHEMBL4970638

CCC(Br)C(=O)Nc1cc(C)cc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOAT2 O75908 1/20 0.36
ACAT1 P24752 1/20 0.36
SOAT1 P35610 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B2 P37059 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4969721 0.88 GAA (0.41) GAAKMT2AHTTNPSR1NR3C1
SCHEMBL4968625 0.86 GAA (0.40) GAAHTTNPSR1CYP2C9SOAT2
SCHEMBL4969873 0.83 GAA (0.43) GAAKMT2AALDH1A1MEN1HSD17B2
SCHEMBL4969931 0.81 GAA (0.55) GAAKMT2AALDH1A1NPSR1MEN1
SCHEMBL22407674 0.81 ALDH1A1 (0.49) KMT2AALDH1A1HTTNPSR1MEN1
SCHEMBL4971218 0.80 GAA (0.41) GAAKMT2AALDH1A1HTTNPSR1
SCHEMBL4968427 0.80 GAA (0.41) GAAKMT2AALDH1A1HTTNPSR1
SCHEMBL4968432 0.80 GAA (0.41) GAAKMT2AALDH1A1HTTNPSR1
SCHEMBL4969032 0.78 GAA (0.41) GAAKMT2AALDH1A1HTTNPSR1
SCHEMBL12919808 0.75 ALDH1A1 (0.52) GAAKMT2AALDH1A1HTTMEN1

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
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 GAA 783/4885KMT2A 1121/4885ALDH1A1 142/4885

“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.