SCHEMBL10123012

SCHEMBL10123012

COC1=CCC([C@@H]2Cc3ccc(OC)cc3[C@@H]3CCCC[C@@H]32)C=C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRD1 P41143 1/20 0.35
CHRNA7 P36544 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CYP19A1 P11511 3/20 0.33
CYP11B1 P15538 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL10123178 0.98 NOS3 (0.36) OPRM1OPRD1CHRNA7SIGMAR1NOS3
SCHEMBL10123200 0.91 LMNA (0.36) CHRNA7NOS3NOS1NOS2CYP19A1
SCHEMBL10123013 0.84 SIGMAR1 (0.32) OPRM1OPRD1CHRNA7SIGMAR1CYP19A1
SCHEMBL10123214 0.84 LMNA (0.35) OPRM1OPRD1SIGMAR1CYP19A1
SCHEMBL10123024 0.84 CHRNA7 (0.33) CHRNA7
SCHEMBL10123342 0.83 OPRM1 (0.32) OPRM1OPRD1CHRNA7SIGMAR1CYP19A1
SCHEMBL10123195 0.81 HSD11B1 (0.33) HSD11B1
SCHEMBL10123123 0.81
SCHEMBL10123131 0.81 CYP19A1 (0.34) CYP19A1
SCHEMBL10123181 0.80

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 2 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

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 OPRM1 158/4885OPRD1 104/4885CHRNA7 348/4885

“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.