SCHEMBL4969032

SCHEMBL4969032

CC[C@H](C)[C@H](Cl)C(=O)Nc1cc(C)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 2/20 0.37
PYGL P06737 1/20 0.37
TSHR P16473 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B2 P37059 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4970068 0.79 GAA (0.41) GAAHTTPYGLTSHRMEN1
SCHEMBL4970059 0.79 GAA (0.41) GAAHTTPYGLTSHRMEN1
SCHEMBL4970638 0.78 GAA (0.43) GAAHTTNPSR1CYP2C9TSHR
SCHEMBL4969873 0.76 GAA (0.43) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL4968427 0.74 GAA (0.41) GAAHTTNPSR1KDM4ECYP2C9
SCHEMBL4971218 0.74 GAA (0.41) GAAHTTNPSR1KDM4ECYP2C9
SCHEMBL4968432 0.74 GAA (0.41) GAAHTTNPSR1KDM4ECYP2C9
SCHEMBL4969721 0.73 GAA (0.41) GAAHTTNPSR1CYP2C9PYGL
SCHEMBL4967999 0.72 TRPM4 (0.40) GAANPSR1KDM4EMEN1KMT2A
SCHEMBL4969584 0.72 GPR35 (0.38) GAAHTTTSHRMEN1KMT2A

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 783/4885HTT 772/4885NPSR1 2646/4885

“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.