SCHEMBL3106434

SCHEMBL3106434

CCOC(=O)c1cc2cc(F)cc(Cl)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL4046142 0.87 RAB9A (0.57) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL4396474 0.87 ALOX15 (0.58) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL30457751 0.87 ALOX15 (0.58) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL4373098 0.86 CDK1 (0.54) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL2770162 0.85 KDM4E (0.51) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL12501328 0.84 CDK1 (0.53) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL21684735 0.84 KDM4E (0.50) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL4386339 0.83 HPGD (0.60) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL12641843 0.83 KDM4E (0.49) CDK1CCNB1ALOX15KDM4EALDH1A1
SCHEMBL215234 0.83 XDH (0.56) CDK1CCNB1ALOX15KDM4EALDH1A1

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-8513422-B2 Piperidine derivative ASTELLAS PHARMA INC. (JP) 2013-08-20 US disclosed
EP-2181990-B1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2012-08-08 EP disclosed
US-20100256189-A1 PIPERIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2181990-A1 PIPERIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-05-05 EP 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-20100256189-A1 PIPERIDINE DERIVATIVE AR, NR5A1, CYP17A1 CDK1 1148/4885CCNB1 1625/4885ALOX15 1249/4885

“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.