SCHEMBL1864969

SCHEMBL1864969

CCCCCCc1[c]ccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
TYR P14679 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 4/20 0.36
PTGS2 P35354 3/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35

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
SCHEMBL5202882 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1863529 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1872077 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1866402 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1858430 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1868781 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1860509 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1861596 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1867307 1.00 GHSR (0.39) GHSRTP53CYP3A4MEN1ALOX5
SCHEMBL1866526 0.98 GHSR (0.37) GHSRTP53CYP3A4MEN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GHSR 661/4885TP53 3239/4885CYP3A4 1271/4885

“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.