SCHEMBL12899792

SCHEMBL12899792

Cc1cc(C(C)C)cc(O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TRPA1 O75762 1/20 0.39
CACNA1C Q13936 1/20 0.39
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.33
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLQ O75417 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.32
FABP5 Q01469 1/20 0.32
CRHR1 P34998 2/20 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
SCHEMBL803445 0.83 POLB (0.38) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL27931949 0.79 KDM4E (0.37) MAPK1LMNAALDH1A1GAAHTT
SCHEMBL16477747 0.77 PTGS1 (0.39) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL10204242 0.76 GABRA1 (0.38) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL19007329 0.74 NOS3 (0.43) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL10204247 0.73 LMNA (0.33) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL3030918 0.73 ALDH1A1 (0.40) PTGS1TRPA1CACNA1CMAPK1LMNA
SCHEMBL10204248 0.73 NOS2 (0.54) MAPK1ALDH1A1GAAALOX12HTT
SCHEMBL10204245 0.73 LMNA (0.38) MAPK1LMNAALDH1A1HTTMAPT
SCHEMBL30228949 0.73 ALDH1A1 (0.40) PTGS1TRPA1CACNA1CMAPK1LMNA

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-20190084988-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2019-03-21 US disclosed
US-8394960-B2 Thiazole carboxamide derivatives and their use to treat cancer MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-20110044940-A1 Thiazole Carboxamide Derivatives and Their Use to Treat Cancer SCHERING CORPORATION 2011-02-24 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-20190084988-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PTGS1 3235/4885GABRA1 2682/4885GABRB2 2703/4885
US-20110044940-A1 Thiazole Carboxamide Derivatives and Their Use to Treat Cancer LCK, TEC, MTOR PTGS1 1507/4885GABRA1 4351/4885GABRB2 4140/4885

“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.