SCHEMBL1862579

SCHEMBL1862579

CCCCCCCCc1cc(F)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GHSR Q92847 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TLR8 Q9NR97 1/20 0.41
HTR2A P28223 2/20 0.40
LIPG Q9Y5X9 1/20 0.40
SKP2 Q13309 1/20 0.40
PTGS2 P35354 3/20 0.39
MPO P05164 3/20 0.39

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
SCHEMBL1867053 1.00 ALOX5 (0.46) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL1864846 1.00 ALOX5 (0.46) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL1864429 1.00 ALOX5 (0.46) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL1864903 1.00 ALOX5 (0.46) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL1868442 0.98 ALOX5 (0.43) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL1865919 0.93 SKP2 (0.46) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL310770 0.85 ALDH1A1 (0.46) MAPTALDH1A1SKP2MPO
Ammonia Solution, Strong SCHEMBL3631154 0.83 ALDH1A1 (0.45) MAPTALDH1A1SKP2MPO
SCHEMBL26944534 0.82 ALDH1A1 (0.41) ALDH1A1MPO
SCHEMBL21392022 0.81 ALOX5 (0.49) ALOX5MEN1TP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
CN-101309900-B Substituted cycloalkene derivative DAIICHI SANKYO CO LTD 2015-04-22 CN disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
CN-101309900-A Substituted cycloalkene derivative DAIICHI SANKYO CO LTD (JP) 2008-11-19 CN disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF ALOX5 347/4885MEN1 4180/4885TP53 3239/4885

“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.