SCHEMBL23923869

SCHEMBL23923869

CC(C)n1ccc(-c2c(O)cccc2O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ANPEP P15144 1/20 0.33
DPP4 P27487 1/20 0.33
MAP3K5 Q99683 5/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL23923923 0.83 DYRK1A (0.41) DYRK1AHSP90AA1HSP90AB1JAK2TYK2
SCHEMBL23923784 0.74 PTGS2 (0.41) HSP90AA1HSP90AB1
SCHEMBL21051521 0.73 DYRK1A (0.44) DYRK1APRMT5WDR77TGFBR1
SCHEMBL19601475 0.70 DYRK1A (0.53) DYRK1AJAK2TYK2PRMT5WDR77
SCHEMBL10197118 0.70
SCHEMBL23093145 0.69 HAO1 (0.42) DYRK1AHSP90AA1HSP90AB1CA1CA2
SCHEMBL26521375 0.69 DYRK1A (0.51) DYRK1AJAK2TYK2PRMT5WDR77
SCHEMBL23986239 0.69 RAB9A (0.47) DYRK1AMETAP2IDO1
Phenol SCHEMBL28102047 0.68 NPC1 (0.46)
SCHEMBL22349799 0.68 NPC1 (0.43) DYRK1ATGFBR1IDO1

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 DYRK1A 943/4885HSP90AA1 1705/4885HSP90AB1 1124/4885
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 DYRK1A 943/4885HSP90AA1 1705/4885HSP90AB1 1124/4885

“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.