SCHEMBL4968141

SCHEMBL4968141

CC(C)C(Br)C(=O)Nc1cc(Cl)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 14/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.49
HIF1A Q16665 1/20 0.49
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL4968627 0.88 CXCR2 (0.54) POLBMEN1KMT2AHPGDTP53
SCHEMBL6078738 0.84 KCNMA1 (0.58) KCNMA1POLBMEN1KMT2AHPGD
SCHEMBL4971171 0.83 GAA (0.57) KCNMA1POLBMEN1KMT2ATP53
SCHEMBL10359093 0.82 KCNMA1 (0.44) KCNMA1POLBMEN1KMT2AHPGD
SCHEMBL10359687 0.79 HTT (0.62) KCNMA1POLBMEN1KMT2ATP53
SCHEMBL4968558 0.79 MEN1 (0.48) MEN1KMT2AHPGDMAPTHTT
SCHEMBL9792728 0.79 KCNMA1 (0.60) KCNMA1POLBMEN1KMT2AHPGD
SCHEMBL4968965 0.79 HSPA5 (0.49) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL4968978 0.79 HSPA5 (0.49) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL4968419 0.78 KMT2A (0.66) MEN1KMT2AHPGDMAPTLMNA

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 KCNMA1 2374/4885POLB 4733/4885MEN1 4288/4885

“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.