SCHEMBL1758892

SCHEMBL1758892

Cc1ccc(C(F)(F)F)cc1O[C]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NOTUM Q6P988 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
CFTR P13569 1/20 0.35
PDE2A O00408 1/20 0.35
KIF11 P52732 2/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL2669936 0.77 L3MBTL1 (0.45) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL1758894 0.75 CYP2C19 (0.41) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL97153 0.75 TSHR (0.44) ALDH1A1USP2HSD17B10MAPTCYP1A2
SCHEMBL15958858 0.73 MEN1 (0.41) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL13696455 0.73 CYP2C19 (0.51) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL23581754 0.72 KDM4E (0.53) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL1758634 0.72 KDM4E (0.53) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL12390390 0.71 CYP2C19 (0.41) CYP2C19ALDH1A1KDM4EUSP2HPGD
SCHEMBL1755260 0.71 PDE2A (0.46) ALDH1A1MAPTNOTUMTAS2R14PDE2A
SCHEMBL3033286 0.69 PDE2A (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493886-B1 HETEROARYL PIPERIDINE AND PIPERAZINE DERIVATES BAYER CROPSCIENCE AG (DE) 2014-11-26 EP disclosed
US-8501781-B2 Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG (DE) 2013-08-06 US disclosed
CN-102712634-A Heteroarylpiperidine and -piperazine derivatives BAYER CROPSCIENCE AG 2012-10-03 CN disclosed
EP-2493886-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
US-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
WO-2011051244-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-05-05 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-20110306620-A1 Heteroarylpiperidine And-Piperazine Derivatives CAT, DPM1, ERG28 CYP2C19 245/4885ALDH1A1 952/4885KDM4E 1783/4885

“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.