SCHEMBL3344387

SCHEMBL3344387

CCOC(=O)c1cnc(-c2ccc(C)cc2)cc1Oc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 2/20 0.47
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3341299 0.93 ALDH1A1 (0.47) MAPTHTTCYP1A2TDP1KDM4E
SCHEMBL3342554 0.88 TP53 (0.44) MAPTHTTCYP1A2CYP2C9CYP2C19
SCHEMBL3343855 0.87 MAPT (0.44) MAPTHTTCYP1A2KDM4ECYP2C9
SCHEMBL3344993 0.87 CYP1A2 (0.52) MAPTHTTCYP1A2TDP1CYP2C9
SCHEMBL3340026 0.86 LDHA (0.51) MAPTHTTCYP1A2TDP1KDM4E
SCHEMBL3342166 0.85 CSNK1D (0.47) MAPTHTTCYP1A2TDP1KDM4E
SCHEMBL3341626 0.84 MAPT (0.48) MAPTHTTCYP1A2TDP1KDM4E
SCHEMBL3342017 0.79 SYK (0.43) MAPTCYP1A2KDM4EGAAHPGD
SCHEMBL3341188 0.76 LDHA (0.46) HTTTP53
SCHEMBL3341309 0.76 CHRNA7 (0.42) TP53SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
US-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-06-24 US disclosed
WO-2008031500-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 WO 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-20100160386-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS PPARA, PPARD, PPARG MAPT 3205/4885HTT 862/4885CYP1A2 1536/4885

“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.