SCHEMBL318134

SCHEMBL318134

COc1ccc(C2=Cc3ccc(OC)cc3C3CCC(C)(C)CC23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B1 P14061 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2B P41595 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2C P28335 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
SCHEMBL10109101 1.00 LMNA (0.34) LMNANOS3NOS1NOS2MAPT
SCHEMBL10109052 0.95 LMNA (0.34) LMNANOS3NOS1NOS2MAPT
SCHEMBL318139 0.95 LMNA (0.34) LMNANOS3NOS1NOS2MAPT
SCHEMBL10108826 0.82 NOS3 (0.44) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL317860 0.82 NOS3 (0.44) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL10108856 0.82 NOS3 (0.47) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL317663 0.82 NOS3 (0.47) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL318392 0.76 CYP11B1 (0.36) NOS3NOS1NOS2MAPTSMN1; SMN2
SCHEMBL10108926 0.76 CYP11B1 (0.36) NOS3NOS1NOS2MAPTSMN1; SMN2
SCHEMBL10109013 0.71 NOS3 (0.44) NOS3NOS1NOS2CYP11B1CYP11B2

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 LMNA 2755/4885NOS3 3463/4885NOS1 3050/4885

“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.