SCHEMBL4969103

SCHEMBL4969103

Cc1cc(Cl)cc(NC(=O)[C@H](Br)C(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSPA5 P11021 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
BCL2L1 Q07817 2/20 0.35
BCL2 P10415 2/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
BAK1 Q16611 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL4967536 1.00 HTT (0.39) HTTTRPM4ALDH1A1NPSR1LMNA
SCHEMBL4968978 0.87 HSPA5 (0.49) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL4968965 0.87 HSPA5 (0.49) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL4971218 0.85 GAA (0.41) HTTALDH1A1NPSR1LMNAMEN1
SCHEMBL4968432 0.85 GAA (0.41) HTTALDH1A1NPSR1LMNAMEN1
SCHEMBL4968427 0.85 GAA (0.41) HTTALDH1A1NPSR1LMNAMEN1
SCHEMBL4968008 0.84 TRPM4 (0.40) TRPM4ALDH1A1NPSR1LMNAMEN1
SCHEMBL4967999 0.84 TRPM4 (0.40) TRPM4ALDH1A1NPSR1LMNAMEN1
SCHEMBL4970144 0.81 HTT (0.38) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL4970600 0.79 HTT (0.39) HTTALDH1A1LMNAMEN1KMT2A

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 HTT 772/4885TRPM4 2060/4885ALDH1A1 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.