SCHEMBL10123013

SCHEMBL10123013

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.32
OPRM1 P35372 3/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B1 P14061 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL10123214 0.92 LMNA (0.35) SIGMAR1OPRM1ADRB2HTR1AADRA2A
SCHEMBL10123012 0.84 OPRM1 (0.35) SIGMAR1OPRM1OPRD1CYP19A1CYP11B1
SCHEMBL10123178 0.84 NOS3 (0.36) SIGMAR1OPRM1OPRD1CYP19A1CYP11B1
SCHEMBL10123342 0.79 OPRM1 (0.32) SIGMAR1OPRM1HTR2CHTR2BOPRD1
SCHEMBL10123129 0.76 ESR1 (0.34) SIGMAR1OPRM1HTR2BSLC6A3LMNA
SCHEMBL10123200 0.76 LMNA (0.36) SLC6A2SLC6A3LMNAMAPTHSD17B1
SCHEMBL319617 0.75 KDM1A (0.39) SIGMAR1OPRM1ADRB2HTR1AADRA2A
SCHEMBL10109062 0.75 KDM1A (0.39) SIGMAR1OPRM1ADRB2HTR1AADRA2A
SCHEMBL10123024 0.69 CHRNA7 (0.33) CHRNA7
SCHEMBL10123145 0.69 ESR1 (0.36) OPRM1HTR2BSLC6A3LMNAMAPT

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 SIGMAR1 380/4885OPRM1 158/4885ADRB2 113/4885

“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.