SCHEMBL3343610

SCHEMBL3343610

CCOC(=O)c1cnc(-c2cc(F)cc(F)c2)cc1Oc1cc(OC)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
DPP4 P27487 2/20 0.40
HPGD P15428 2/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
GRM7 Q14831 1/20 0.39
POLB P06746 1/20 0.39
PTGDR Q13258 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3340085 0.87 KMO (0.40) KDM4ELMNASMN1; SMN2POLB
SCHEMBL3343855 0.86 MAPT (0.44) CYP1A2MAPTALDH1A1KDM4ELMNA
SCHEMBL8219490 0.83 MAPT (0.43) CYP1A2MAPTALDH1A1KDM4ELMNA
SCHEMBL3345623 0.81 SCN9A (0.41) CYP1A2MAPTKDM4EPOLB
SCHEMBL3341299 0.79 ALDH1A1 (0.47) CYP1A2MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL3344136 0.79 BAZ2B (0.46) CYP1A2MAPTALDH1A1KDM4ELMNA
SCHEMBL3342166 0.78 CSNK1D (0.47) CYP1A2MAPTALDH1A1KDM4ELMNA
SCHEMBL3339524 0.78 KMO (0.44) KDM4ESMN1; SMN2
SCHEMBL3342554 0.74 TP53 (0.44) CYP1A2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3344387 0.74 MAPT (0.54) CYP1A2MAPTALDH1A1KDM4ESMN1; SMN2

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-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

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 CYP1A2 1536/4885MAPT 3205/4885ALDH1A1 2083/4885

“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.