SCHEMBL4805591

SCHEMBL4805591

COc1ccc(-c2c(C)c3ccc(OCOCC[Si](C)(C)C)cc3oc2=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
STAT1 P42224 1/20 0.46
KMT2A Q03164 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 4/20 0.40
MAOB P27338 4/20 0.40
ABCB1 P08183 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4805043 0.85 NPC1 (0.60) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL5108094 0.79 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL4809550 0.79 KDM4E (0.43) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL4710691 0.77 MAOB (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4802807 0.75 NPC1 (0.53) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL4805607 0.73 NPC1 (0.65) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL6690691 0.72 ALDH1A1 (0.75) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL4709478 0.72 ALDH1A1 (0.62) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL7123957 0.71 NPC1 (0.80) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL5115204 0.69 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9AMAPT

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 KDM4E 1738/4885ALDH1A1 2052/4885NPC1 4199/4885
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 KDM4E 1738/4885ALDH1A1 2052/4885NPC1 4199/4885

“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.