SCHEMBL4803151

SCHEMBL4803151

Cc1c(-c2ccncc2)c(=O)oc2cc(O[Si](C)(C)C(C)(C)C)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 3/20 0.48
STAT1 P42224 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
ERAP1 Q9NZ08 1/20 0.45
HPGD P15428 3/20 0.44
STS P08842 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4805077 0.84 NPC1 (0.65) NPC1KDM4EALDH1A1RAB9ASTAT1
SCHEMBL30507514 0.80 CA12 (0.53) KDM4EALDH1A1RAB9ALMNACA12
SCHEMBL30507513 0.80 CA12 (0.53) KDM4EALDH1A1RAB9ALMNACA12
SCHEMBL28510447 0.80 CA12 (0.53) KDM4EALDH1A1RAB9ALMNACA12
SCHEMBL4805935 0.79 ERAP1 (0.55) NPC1KDM4EALDH1A1RAB9ASTAT1
SCHEMBL4798266 0.76 ERAP1 (0.75) NPC1KDM4EALDH1A1KMT2ALMNA
SCHEMBL4802807 0.76 NPC1 (0.53) NPC1KDM4EALDH1A1RAB9ASTAT1
SCHEMBL29853363 0.76 MAPT (0.63) NPC1KDM4EALDH1A1RAB9ASTAT1
SCHEMBL26781086 0.76 MAPT (0.63) NPC1KDM4EALDH1A1RAB9ASTAT1
SCHEMBL840971 0.74 CA1 (0.61) NPC1KDM4EALDH1A1RAB9ASTAT1

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
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
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
EP-1846397-A1 NOVEL HETEROCYCLIC BENZOY[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
US-20060205741-A1 Novel heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-14 US disclosed
WO-2006078834-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 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 (2 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-20060205741-A1 Novel heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors GPER1, ESR1, ESR2 NPC1 4199/4885KDM4E 1738/4885ALDH1A1 2052/4885
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 NPC1 4199/4885KDM4E 1738/4885ALDH1A1 2052/4885

“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.