SCHEMBL4809550

SCHEMBL4809550

COc1ncc(-c2c(C)c3ccc(OCOCC[Si](C)(C)C)cc3oc2=O)c(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 4/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
STAT1 P42224 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 5/20 0.39
MAOB P27338 5/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4798940 0.86 KDM4E (0.51) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5108094 0.81 KDM4E (0.46) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4805591 0.79 KDM4E (0.52) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4710691 0.74 MAOB (0.50) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4800233 0.74 NQO1 (0.43) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4709478 0.70 ALDH1A1 (0.62) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4797389 0.70 PPARD (0.36)
SCHEMBL5115204 0.69 KDM4E (0.36) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5107845 0.68 KDM4E (0.51) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4802936 0.68 ESR1 (0.36)

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 2052/4885RAB9A 3806/4885
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 KDM4E 1738/4885ALDH1A1 2052/4885RAB9A 3806/4885

“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.