SCHEMBL23923849

SCHEMBL23923849

CCCCCc1cc(O)c2c(=O)ccoc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HTT P42858 3/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CNR1 P21554 7/20 0.47
CNR2 P34972 7/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MAPT P10636 1/20 0.46
PTGS2 P35354 3/20 0.46
CYP3A4 P08684 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
ABCB1 P08183 1/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6259512 0.82 ALDH1A1 (0.42) ALDH1A1HTTTP53GAATSHR
SCHEMBL1236537 0.80 CNR1 (0.51) ALDH1A1HTTTP53GAATSHR
SCHEMBL23923931 0.76 CNR2 (0.58) CNR1CNR2GPR55
SCHEMBL23923847 0.72 ADORA3 (0.47) ALDH1A1HTTTP53GAATSHR
SCHEMBL31220429 0.72 ALDH1A1 (0.60) ALDH1A1HTTTP53GAATSHR
SCHEMBL1236130 0.72 CNR1 (0.47) ALDH1A1HTTTP53GAATSHR
SCHEMBL29372700 0.72 FTO (0.55) ALDH1A1HTTTP53GAATSHR
SCHEMBL7941628 0.72 PTGS2 (0.49) ALDH1A1HTTTP53GAATSHR
SCHEMBL20981394 0.69 CNR2 (0.65) ALDH1A1HTTTP53GAATSHR
SCHEMBL28387796 0.69 PTPRS (0.54) ALDH1A1TP53GAASMN1; SMN2MAPT

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-12091389-B2 Pyrazolylbenzene-1,3-diols for diseases associated with g protein-coupled receptor 18 and in combination with transient receptor potential vanilloid 1 TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-09-17 US disclosed
EP-3901142-A1 PYRAZOLYLBENZENE-1,3-DIOLS FOR DISEASES ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 18 AND IN COMBINATION WITH TRANSIENT RECEPTOR POTENTIAL VANILLOID 1 Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-10-27 EP disclosed
US-20210323927-A1 PYRAZOLYLBENZENE-1,3-DIOLS FOR DISEASES ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 18 AND IN COMBINATION WITH TRANSIENT RECEPTOR POTENTIAL VANILLOID 1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-21 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 (2 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-20210323927-A1 PYRAZOLYLBENZENE-1,3-DIOLS FOR DISEASES ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 18 AND IN COMBINATION WITH TRANSIENT RECEPTOR POTENTIAL VANILLOID 1 GPR18, TRPV1, TRPV3 ALDH1A1 2222/4885HTT 3432/4885TP53 3582/4885
US-12091389-B2 Pyrazolylbenzene-1,3-diols for diseases associated with g protein-coupled receptor 18 and in combination with transient receptor potential vanilloid 1 GPR18, TRPV1, TRPV3 ALDH1A1 2222/4885HTT 3432/4885TP53 3582/4885

“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.