SCHEMBL6876576

SCHEMBL6876576

C#Cc1ccc(C(=O)O)c(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR35 Q9HC97 1/20 0.39
LDHA P00338 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.37
MYC P01106 1/20 0.37
ALB P02768 1/20 0.36
MMP2 P08253 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL17201308 0.81 GRM1 (0.47) GRM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9862045 0.76 TSHR (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL317576 0.74 ALDH1A1 (0.57) GRM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30149140 0.74 ALDH1A1 (0.57) GRM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL565454 0.74 SELL (0.64) GRM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30463104 0.74 SELL (0.64) GRM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL30396337 0.72 KDM4E (0.55) GRM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9183153 0.72 KDM4E (0.55) GRM1ALDH1A1KDM4EHSD17B10HPGD
Bicarbonate SCHEMBL4612195 0.72 KDM4E (0.55) GRM1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27997103 0.72 GPR35 (0.40) ALDH1A1KDM4EHSD17B10TDP1GPR35

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
US-6818666-B2 FOR EXAMPLE, METHYL 4-(5,5,8,8,-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2 -NAPHTHYLSULPHANYLETHYNYL)BENZOATE; USE IN HUMAN OR VETERINARY MEDICINE OR COSMETIC COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2004-11-16 US disclosed
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them GALDERMA RESEARCH & DEVELOPMENT 2003-05-29 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-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 GRM1 4791/4885ALDH1A1 443/4885KDM4E 536/4885

“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.