SCHEMBL4968965

SCHEMBL4968965

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.49
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 2/20 0.35
PTGS1 P23219 1/20 0.35
TBXAS1 P24557 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPK14 Q16539 1/20 0.35
CASR P41180 2/20 0.34
MEN1 O00255 2/20 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
SCHEMBL4968978 1.00 HSPA5 (0.49) HSPA5HTTALDH1A1CYP3A4TSHR
SCHEMBL4968591 0.87 HTT (0.39) HSPA5HTTALDH1A1TSHRRAB9A
SCHEMBL4967536 0.87 HTT (0.39) HSPA5HTTALDH1A1KDM4ERAB9A
SCHEMBL4970600 0.87 HTT (0.39) HSPA5HTTALDH1A1TSHRRAB9A
SCHEMBL4969103 0.87 HTT (0.39) HSPA5HTTALDH1A1KDM4ERAB9A
SCHEMBL4968542 0.83 HSPA5 (0.50) HSPA5ALDH1A1CYP3A4TSHRRECQL
SCHEMBL4968547 0.83 HSPA5 (0.50) HSPA5ALDH1A1CYP3A4TSHRRECQL
SCHEMBL4969875 0.79 HTT (0.38) HSPA5HTTALDH1A1MAPK1MAPK14
SCHEMBL4968141 0.79 KCNMA1 (0.53) HTTTSHRKDM4ERAB9AMAPK1
SCHEMBL4969948 0.79 CXCR2 (0.45) HTTALDH1A1MAPK1MEN1KMT2A

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 HSPA5 2925/4885HTT 772/4885ALDH1A1 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.