SCHEMBL6902092

SCHEMBL6902092

CCc1cc(CC)c(C(C)(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADORA1 P30542 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
DAO P14920 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13400737 0.78 L3MBTL1 (0.34)
SCHEMBL11343217 0.70 ALDH1A1 (0.40) ALDH1A1MAPK1CYP1A2TMIGD3CYP2C9
SCHEMBL6901097 0.70 ALDH1A1 (0.37) GRIN2CALDH1A1MAPK1CYP1A2TMIGD3
SCHEMBL19862521 0.68 SELE (0.33) ALDH1A1MAPK1GAASELEVCAM1
Hydrochloric Acid SCHEMBL22774982 0.67 GAA (0.49) ALDH1A1MAPK1CYP1A2TMIGD3CYP2C9
SCHEMBL15107088 0.65 MAPK1 (0.35) ALDH1A1MAPK1CYP1A2TMIGD3CYP2C9
SCHEMBL22789293 0.65 ALDH1A1 (0.37) GRIN2CALDH1A1MAPK1CYP1A2TMIGD3
SCHEMBL3784658 0.64 ALDH1A1 (0.37) ALDH1A1MAPK1CYP1A2TMIGD3CYP2C9
SCHEMBL2756710 0.64 MAPK1 (0.34) GRIN2CALDH1A1MAPK1HSD17B10SELE
SCHEMBL21652962 0.63 SELE (0.36) SELEVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-07-21 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 (1 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-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 GRIN2C 1561/4885ALDH1A1 2122/4885MAPK1 2243/4885

“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.