SCHEMBL5380495

SCHEMBL5380495

COc1ccc(C2=C(c3ccc(OC)cc3)CC(CO)C(CO)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
FGF23 Q9GZV9 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL5378625 0.74 ESR2 (0.42) ESR2MIFAPP
SCHEMBL19262122 0.70 HTR2C (0.67) NPC1RAB9ASLC5A1SLC5A2
SCHEMBL16585495 0.70 HTR2C (0.67) NPC1RAB9ASLC5A1SLC5A2
SCHEMBL17985307 0.70 HTR2C (0.67) NPC1RAB9ASLC5A1SLC5A2
SCHEMBL16585494 0.70 HTR2C (0.67) NPC1RAB9ASLC5A1SLC5A2
SCHEMBL8939880 0.70 NPC1 (0.41) ESR2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL20511483 0.69 HTR1A (0.39) ESR2SMN1; SMN2NPC1RAB9ACA12
SCHEMBL5403268 0.68 NPC1 (0.40) ESR2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5403263 0.68 NPC1 (0.40) ESR2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5390407 0.68 NPC1 (0.40) ESR2SMN1; SMN2KDM4EALDH1A1HPGD

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-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US disclosed
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US disclosed
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US disclosed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
EP-1633692-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 US disclosed
WO-2005000775-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 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-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators ESR2, GPER1, ESR1 ESR2 1/4885SMN1; SMN2 4610/4885KDM4E 911/4885
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ESR2, GPER1, ESR1 ESR2 1/4885SMN1; SMN2 4610/4885KDM4E 911/4885

“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.