SCHEMBL13624075

SCHEMBL13624075

COc1cc(OCC(F)(F)F)ccc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.42
CYP17A1 P05093 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GPR3 P46089 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
POLB P06746 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL13624143 0.81 NQO1 (0.45) MRGPRX4ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL15496973 0.80 CYP2C9 (0.44) CYP2C9CYP1A2ALDH1A1CYP2C19CYP17A1
SCHEMBL2493524 0.79 TRPV4 (0.53) CYP2C9CYP1A2ALDH1A1CYP2C19CYP17A1
SCHEMBL13624065 0.79 MAPK1 (0.41) MRGPRX4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL799917 0.79 CA1 (0.58) CYP2C9CYP1A2ALDH1A1CYP2C19KDM4E
SCHEMBL31525792 0.79 CA1 (0.58) CYP2C9CYP1A2ALDH1A1CYP2C19KDM4E
SCHEMBL13624074 0.78 LMNA (0.42) ALDH1A1GPR3CYP3A4HPGDLMNA
SCHEMBL3923642 0.78 CYP2C9 (0.51) CYP2C9CYP1A2ALDH1A1CYP2C19CYP17A1
SCHEMBL23977887 0.77 CYP2C9 (0.50) CYP2C9CYP1A2ALDH1A1CYP2C19CYP17A1
SCHEMBL22140426 0.76 MAOB (0.43) MRGPRX4ALDH1A1KDM4ECYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF MRGPRX4 625/4885CYP2C9 968/4885CYP1A2 3323/4885

“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.