SCHEMBL14066720

SCHEMBL14066720

COc1ncc(C)c(OC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
LRRK2 Q5S007 1/20 0.35
CYP1A2 P05177 6/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CRHR1 P34998 1/20 0.33
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
CDK1 P06493 1/20 0.32

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
SCHEMBL8888 0.82 QPCT (0.40) CYP1A2PIK3CDABL1EGFRHCK
SCHEMBL6826216 0.81 TRPM8 (0.47) TRPM8LRRK2CYP1A2PIK3CDABL1
SCHEMBL22842992 0.76 NUDT1 (0.54) AURKACDK1CCNB1CCNA2CDK2
SCHEMBL19676032 0.76 AURKA (0.39) AURKATRPM8LRRK2CDK1CCNB1
SCHEMBL13512493 0.73 CYP1A2 (0.36) CYP1A2PIK3CDABL1EGFRHCK
SCHEMBL12051547 0.71 CYP1A2 (0.47) CYP1A2PIK3CARXRAGRIN1GRIN2B
SCHEMBL2611028 0.71 PIK3CA (0.39) CYP1A2PIK3CDABL1EGFRHCK
SCHEMBL12924614 0.70 FTO (0.37) TRPM8ACACBALDH1A1LMNAKMT2A
SCHEMBL26794294 0.69 RXRA (0.35) PIK3CDABL1EGFRHCKSRC
SCHEMBL10969861 0.68 FTO (0.40) CYP1A2PIK3CACYP3A4ALDH1A1USP2

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-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS ZHANG XUQING 2008-09-11 US disclosed
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS ZHANG XUQING 2008-09-11 US disclosed
US-7399767-B2 Heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-15 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-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 AURKA 1381/4885TRPM8 738/4885LRRK2 4336/4885

“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.