SCHEMBL23923763

SCHEMBL23923763

CCCCCc1cc(O)c(-c2ccnn2C)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR2 P34972 4/20 0.43
CNR1 P21554 2/20 0.43
TRPA1 O75762 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2B6 P20813 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43
CYP2J2 P51589 1/20 0.43
CYP1B1 Q16678 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL23924083 0.84 PTGS2 (0.42) PTGS2CYP3A4CYP1A2CNR2CNR1
SCHEMBL23924026 0.82 PTGS2 (0.41) PTGS2CYP3A4CYP1A2CNR2CNR1
SCHEMBL23923721 0.82 PTGS2 (0.41) PTGS2CYP3A4CYP1A2CNR2CNR1
SCHEMBL23924076 0.80 CNR1 (0.45) PTGS2CYP3A4CYP1A2CNR2CNR1
SCHEMBL23923710 0.79 PTGS2 (0.47) PTGS2CYP3A4CNR2SLC6A2SLC6A4
SCHEMBL23923894 0.79 CNR1 (0.46) CYP19A1CNR2CNR1TRPV1TDP1
SCHEMBL23923774 0.77 PKM (0.44) PTGS2CYP3A4CYP1A2CNR2CNR1
SCHEMBL23923910 0.76 CNR1 (0.48) PTGS2CYP3A4CNR2CNR1OPRM1
SCHEMBL23923760 0.76 NPBWR1 (0.49) PTGS2
SCHEMBL22908119 0.73 NT5E (0.39) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9

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 6 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 claimed
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-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 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 2832/4885CYP1A2 2102/4885
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 2832/4885CYP1A2 2102/4885

“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.