SCHEMBL23923803

SCHEMBL23923803

Cc1cc(O)c(-c2ccn(C3CCCCC3)n2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 1/20 0.34
NLRP3 Q96P20 1/20 0.34
WDR5 P61964 1/20 0.34
GAA P10253 4/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ESR1 P03372 1/20 0.33
HPGD P15428 1/20 0.33
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
ALOX15 P16050 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.31
PHGDH O43175 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15352771 0.71 SIGMAR1 (0.41) WDR5KMT2ASIGMAR1ESR1HPGD
SCHEMBL10049902 0.71 SIGMAR1 (0.41) WDR5GAAKMT2ASIGMAR1HPGD
SCHEMBL19847560 0.70 KDM4E (0.39) HPGDALOX15KDM4EALDH1A1HSD17B10
SCHEMBL10049903 0.69 SIGMAR1 (0.39) WDR5GAASIGMAR1HPGDALOX15
SCHEMBL23923690 0.69 NR3C2 (0.43) HSP90AA1HSP90AB1
SCHEMBL23923765 0.68 JMJD6 (0.44) GAAKMT2AHSP90AA1HSP90AB1NPC1
SCHEMBL23923923 0.68 DYRK1A (0.41) GAAKMT2AESR1HPGDALOX15
SCHEMBL20158889 0.68 CCR1 (0.48) KMT2AALOX15NPC1RAB9AALDH1A1
SCHEMBL16969326 0.66 SIGMAR1 (0.36) WDR5GAASIGMAR1HPGDNPC1
SCHEMBL31389736 0.65 SIGMAR1 (0.43) WDR5KMT2ASIGMAR1ESR1KDM4E

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 IL1B 1563/4885NLRP3 327/4885WDR5 1822/4885
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 IL1B 1563/4885NLRP3 327/4885WDR5 1822/4885

“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.