SCHEMBL10123342

SCHEMBL10123342

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.32
SIGMAR1 Q99720 3/20 0.31
OPRD1 P41143 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
CYP19A1 P11511 3/20 0.30
CYP11B1 P15538 1/20 0.30
CHRNA7 P36544 1/20 0.30

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 0.83 NOS3 (0.36) OPRM1SIGMAR1OPRD1CYP19A1CYP11B1
SCHEMBL10123012 0.83 OPRM1 (0.35) OPRM1SIGMAR1OPRD1CYP19A1CYP11B1
SCHEMBL10123013 0.79 SIGMAR1 (0.32) OPRM1SIGMAR1OPRD1HTR2CHTR2B
SCHEMBL10123214 0.79 LMNA (0.35) OPRM1SIGMAR1OPRD1HTR2CHTR2B
SCHEMBL10123200 0.75 LMNA (0.36) CYP19A1CHRNA7
SCHEMBL10123203 0.74
SCHEMBL10108928 0.73 KDM1A (0.40) OPRM1SIGMAR1CYP19A1CYP11B1
SCHEMBL318614 0.73 KDM1A (0.40) OPRM1SIGMAR1CYP19A1CYP11B1
SCHEMBL10123024 0.68 CHRNA7 (0.33) CHRNA7
SCHEMBL10123195 0.65 HSD11B1 (0.33) HTR2A

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 158/4885SIGMAR1 380/4885OPRD1 104/4885

“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.