SCHEMBL23923840

SCHEMBL23923840

CCCCCc1cc(O)c(-c2ccn[nH]2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
CYP3A4 P08684 3/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARA Q07869 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
CYP1A2 P05177 2/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
CNR1 P21554 1/20 0.41
HTR2A P28223 1/20 0.41
CNR2 P34972 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
SCHEMBL22229842 0.72 JMJD6 (0.48) CYP3A4CYP1A2CYP4F2CYP4A11CYP2D6
SCHEMBL31545256 0.71 TRPV1 (0.57) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL23923763 0.71 PTGS2 (0.44) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL23924026 0.71 PTGS2 (0.41) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL6356508 0.70 PTGS2 (0.65) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL23924083 0.70 PTGS2 (0.42) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL5788838 0.69 PTGS2 (0.67) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL5788482 0.69 PTGS2 (0.67) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL23923926 0.69 IDO1 (0.64) CYP2A6CYP2B6
SCHEMBL5790435 0.69 PTGS2 (0.67) PTGS2CYP3A4NPC1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 PTGS2 768/4885CYP3A4 2832/4885NPC1 631/4885
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 PTGS2 768/4885CYP3A4 2832/4885NPC1 631/4885

“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.