SCHEMBL12437144

SCHEMBL12437144

Cc1ccc2c(c1)OCCc1nc(C(C)(C)C)[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.35
MAPK14 Q16539 2/20 0.35
RIPK2 O43353 1/20 0.35
ACVR1B P36896 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 2/20 0.32
NPC1 O15118 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
WNT3A P56704 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
CYP19A1 P11511 1/20 0.31
NPY5R Q15761 3/20 0.31
GRM5 P41594 1/20 0.31
ADRA2A P08913 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
SCHEMBL15746226 0.87 NPC1 (0.36) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL10141065 0.87 TGFBR1 (0.37) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL10119926 0.84 KLK7 (0.33) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL2756732 0.84 ALDH1A1 (0.36) ALDH1A1GAAMAPTHSD17B10MAOB
SCHEMBL18948587 0.80 MAOB (0.34) TGFBR1ALDH1A1GAAMAPTHSD17B10
SCHEMBL10147390 0.80 MAOB (0.34) ALDH1A1GAAMAPTHSD17B10MAOB
SCHEMBL12437141 0.79 TYMS (0.39) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL10141066 0.76 PARP10 (0.36) ALDH1A1GAAMAPTNPY5R
SCHEMBL12437143 0.76 PARP10 (0.36) ALDH1A1GAAMAPTNPY5R
SCHEMBL15746215 0.74 MEN1 (0.34) TGFBR1MAPK14RIPK2ACVR1BTDP1

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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 TGFBR1 4227/4885MAPK14 4366/4885RIPK2 4390/4885

“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.