SCHEMBL10108920

SCHEMBL10108920

COc1ccc(C2C(=O)c3ccc(OC)cc3[C@@H]3COC[C@H]23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
MAOB P27338 8/20 0.41
CYP19A1 P11511 6/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL318611 1.00 ESR2 (0.46) ESR2MAOBCYP19A1CYP3A4ALOX15
SCHEMBL10108815 0.81 ESR2 (0.49) ESR2MAOBCYP19A1CYP3A4ALOX15
SCHEMBL10108855 0.81 ESR2 (0.49) ESR2MAOBCYP19A1CYP3A4ALOX15
SCHEMBL319627 0.81 ESR2 (0.49) ESR2MAOBCYP19A1CYP3A4ALOX15
SCHEMBL317798 0.81 ESR2 (0.49) ESR2MAOBCYP19A1CYP3A4ALOX15
SCHEMBL318352 0.76 ESR2 (0.45) ESR2MAOBCYP19A1CYP3A4ALOX15
SCHEMBL10109098 0.76 ESR2 (0.45) ESR2MAOBCYP19A1CYP3A4ALDH1A1
SCHEMBL10109045 0.76 ESR2 (0.45) ESR2MAOBCYP19A1CYP3A4ALOX15
SCHEMBL318002 0.76 ESR2 (0.45) ESR2MAOBCYP19A1CYP3A4ALDH1A1
SCHEMBL9862488 0.76 ESR2 (0.53) ESR2MAOBCYP19A1CYP3A4ALOX15

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 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.