SCHEMBL318327

SCHEMBL318327

COc1ccc(C2Cc3ccc(OC)cc3C3CCCCC23)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP19A1 P11511 3/20 0.41
CYP11B1 P15538 1/20 0.41
CHRNA7 P36544 1/20 0.41
KDM1A O60341 4/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
SIGMAR1 Q99720 3/20 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
SCHEMBL10108827 1.00 OPRM1 (0.41) OPRM1OPRD1CYP19A1CYP11B1CHRNA7
SCHEMBL10108857 0.97 NOS3 (0.43) OPRM1OPRD1CYP19A1CYP11B1CHRNA7
SCHEMBL318577 0.97 NOS3 (0.43) OPRM1OPRD1CYP19A1CYP11B1CHRNA7
SCHEMBL10109015 0.89 LMNA (0.42) CYP19A1CHRNA7KDM1AMAOAMAOB
SCHEMBL318184 0.89 LMNA (0.42) CYP19A1CHRNA7KDM1AMAOAMAOB
SCHEMBL10109277 0.86 LMNA (0.44) KDM1AMAOAMAOB
SCHEMBL10108941 0.85 KDM1A (0.46) OPRM1OPRD1CYP19A1CYP11B1CHRNA7
SCHEMBL317900 0.83 TUBB4A (0.40) KDM1AMAOAMAOB
SCHEMBL10109290 0.83 TUBB4A (0.40) KDM1AMAOAMAOB
SCHEMBL10109298 0.82 CYP19A1 (0.42) CYP19A1KDM1AMAOAMAOB

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 OPRM1 158/4885OPRD1 104/4885CYP19A1 49/4885

“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.