SCHEMBL318392

SCHEMBL318392

COc1ccc(C2=Cc3ccc(OC)cc3C3COCC23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KDM1A O60341 2/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
FDFT1 P37268 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL10108926 1.00 CYP11B1 (0.36) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL317860 0.82 NOS3 (0.44) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL10108826 0.82 NOS3 (0.44) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL317663 0.82 NOS3 (0.47) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL10108856 0.82 NOS3 (0.47) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL318139 0.76 LMNA (0.34) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL10109052 0.76 LMNA (0.34) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL318134 0.76 LMNA (0.34) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL10109101 0.76 LMNA (0.34) CYP11B1CYP11B2KDM1AMAOBMAOA
SCHEMBL10109013 0.70 NOS3 (0.44) CYP11B1CYP11B2PTGS2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 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 (1 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG CYP11B1 219/4885CYP11B2 332/4885KDM1A 2085/4885

“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.