SCHEMBL137449

SCHEMBL137449

CCc1ccc(-c2ccc(C)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
EGFR P00533 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RARB P10826 1/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA10 Q9GZZ6 2/20 0.39
CHRNA9 Q9UGM1 2/20 0.39
UCHL1 P09936 1/20 0.39
TP53 P04637 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
BCL2 P10415 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL5390940 0.83 ALDH1A1 (0.52) MCL1PTGS1PTGS2ALDH1A1CYP3A4
SCHEMBL7868494 0.82 S1PR1 (0.34) MCL1ALOX5PTGS1PTGS2RARB
SCHEMBL12514870 0.81 ALDH1A1 (0.40) ALOX5PTGS1PTGS2EGFRALDH1A1
SCHEMBL25804086 0.81 HSD17B1 (0.56) MCL1ALOX5PTGS1PTGS2EGFR
SCHEMBL1622230 0.81 MAPT (0.48) ALOX5PTGS1PTGS2EGFRALDH1A1
SCHEMBL23512357 0.81 TRPA1 (0.47) MCL1ALOX5PTGS1PTGS2EGFR
SCHEMBL18724120 0.81 PDE3B (0.40) ALOX5PTGS1PTGS2EGFRRARB
SCHEMBL270167 0.80 TRPA1 (0.48) ALOX5PTGS1PTGS2ALDH1A1TP53
SCHEMBL29441542 0.80 TRPA1 (0.48) ALOX5PTGS1PTGS2ALDH1A1TP53
SCHEMBL9294913 0.80 HRH3 (0.61) MCL1ALDH1A1CYP3A4TSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 MCL1 3337/4885ALOX5 542/4885PTGS1 3609/4885

“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.