SCHEMBL317798

SCHEMBL317798

COc1ccc(C2C(=O)c3ccc(OC)cc3C3CCCCC32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
MAOB P27338 3/20 0.40
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTGS2 P35354 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL10108815 1.00 ESR2 (0.49) ESR2MAOBCYP19A1CYP3A4NPC1
SCHEMBL319627 0.97 ESR2 (0.49) ESR2MAOBCYP19A1CYP3A4NPC1
SCHEMBL10108855 0.97 ESR2 (0.49) ESR2MAOBCYP19A1CYP3A4NPC1
SCHEMBL10109009 0.90 ESR2 (0.42) ESR2MAOBCYP19A1CYP3A4NPC1
SCHEMBL318386 0.90 ESR2 (0.42) ESR2MAOBCYP19A1CYP3A4NPC1
SCHEMBL318188 0.86 KDM1A (0.41) ESR2MAOBCYP19A1CYP3A4MAPT
SCHEMBL10108927 0.86 KDM1A (0.41) ESR2MAOBCYP19A1CYP3A4MAPT
SCHEMBL10109098 0.82 ESR2 (0.45) ESR2MAOBCYP19A1CYP3A4NPC1
SCHEMBL318352 0.82 ESR2 (0.45) ESR2MAOBCYP19A1CYP3A4NPC1
SCHEMBL10109045 0.82 ESR2 (0.45) ESR2MAOBCYP19A1CYP3A4NPC1

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 ESR2 1/4885MAOB 2323/4885CYP19A1 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.