SCHEMBL10108856

SCHEMBL10108856

COc1ccc(C2=Cc3ccc(OC)cc3[C@@H]3CCC[C@H]23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
FDFT1 P37268 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL317663 1.00 NOS3 (0.47) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL10108826 0.97 NOS3 (0.44) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL317860 0.97 NOS3 (0.44) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL10109013 0.86 NOS3 (0.44) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL317866 0.86 NOS3 (0.44) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL10108934 0.82 KDM1A (0.39) NOS3NOS1NOS2PTGDR2KDM1A
SCHEMBL318139 0.82 LMNA (0.34) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL10109101 0.82 LMNA (0.34) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL10109052 0.82 LMNA (0.34) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL318134 0.82 LMNA (0.34) 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-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
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 NOS3 3463/4885NOS1 3050/4885NOS2 2891/4885

“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.