SCHEMBL4803963

SCHEMBL4803963

COc1ccc2c(C)c(-c3cccnc3)c(=O)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 7/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP19A1 P11511 4/20 0.53
STAT1 P42224 2/20 0.52
KMT2A Q03164 2/20 0.52
MAOB P27338 2/20 0.51
ACHE P22303 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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 0.85 NPC1 (0.65) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7122333 0.85 NPC1 (0.68) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7123957 0.82 NPC1 (0.80) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4805043 0.81 NPC1 (0.60) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4805607 0.80 NPC1 (0.65) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22733326 0.79 KDM4E (0.77) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27076573 0.78 NPC1 (0.69) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7157591 0.78 NPC1 (0.69) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7115028 0.78 NPC1 (0.69) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4802927 0.76 NPC1 (0.62) NPC1ALDH1A1KDM4EHPGDHSD17B10

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 9 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-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
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 4199/4885ALDH1A1 2052/4885KDM4E 1738/4885
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 NPC1 4199/4885ALDH1A1 2052/4885KDM4E 1738/4885

“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.