SCHEMBL137448

SCHEMBL137448

C[CH]c1ccc(-c2ccc(C)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TUBB1 Q9H4B7 3/20 0.35
HTR7 P34969 1/20 0.35
NOTUM Q6P988 2/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NPC1 O15118 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALPL P05186 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS2 P35354 1/20 0.33

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) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL23244720 0.81 AHR (0.39) ALDH1A1CYP3A4TSHRTDP1PTGS2
SCHEMBL1612161 0.80 TUBB1 (0.44) ALDH1A1TSHRTDP1TUBB1MAPT
SCHEMBL3456595 0.80 CYP2A6 (0.50) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL3084322 0.80 ALDH1A1 (0.55) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29702110 0.80 ALDH1A1 (0.55) MCL1ALDH1A1CYP3A4TSHRTDP1
Lithium SCHEMBL30110458 0.77 ALDH1A1 (0.60) MCL1ALDH1A1CYP3A4TSHRTDP1
Water SCHEMBL9222873 0.77 ALDH1A1 (0.52) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL1047499 0.75 TDP1 (0.46) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL21709538 0.75 ALDH1A1 (0.50) 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 3337/4885ALDH1A1 96/4885CYP3A4 39/4885

“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.