SCHEMBL4969184

SCHEMBL4969184

CC(C)C(Br)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL1B P01584 5/20 0.33
GPR35 Q9HC97 1/20 0.32
CACNA1B Q00975 2/20 0.31
TRPA1 O75762 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1C Q13936 1/20 0.31
AR P10275 1/20 0.31
PTPN5 P54829 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL4968425 0.79 MEN1 (0.48) IL1B
SCHEMBL4969176 0.74 KMT2A (0.39) GPR35PTPN5NOTUM
SCHEMBL4970133 0.71 ALDH1A1 (0.39) AR
SCHEMBL4968980 0.71 ALDH1A1 (0.39) AR
SCHEMBL4968603 0.70 MEN1 (0.32)
SCHEMBL4968569 0.69 ALDH1A1 (0.43)
SCHEMBL4968083 0.69 CA2 (0.46)
SCHEMBL391593 0.67 CES2 (0.45) GPR35CACNA1BCACNA1HCACNA1CAR
SCHEMBL4967541 0.67 ATM (0.34)
SCHEMBL4969111 0.67 ATM (0.34)

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 IL1B 537/4885GPR35 1351/4885CACNA1B 2783/4885

“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.