SCHEMBL10109336

SCHEMBL10109336

O=C(O)c1cc2c(cc1O)[C@@H]1CCCC[C@@H]1[C@H](c1ccc(O)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.44
ESR1 P03372 9/20 0.41
ESR2 Q92731 9/20 0.41
SHBG P04278 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SOAT1 P35610 1/20 0.34

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
SCHEMBL319571 1.00 ACMSD (0.44) ACMSDESR1ESR2SHBGCA12
SCHEMBL10109549 0.90 ESR1 (0.41) ACMSDESR1ESR2SHBG
SCHEMBL318313 0.90 ESR1 (0.41) ACMSDESR1ESR2SHBG
SCHEMBL318429 0.86 ESR1 (0.47) ESR1ESR2SHBG
SCHEMBL10109554 0.86 ESR1 (0.47) ESR1ESR2SHBG
SCHEMBL317766 0.81 ESR1 (0.45) ESR1ESR2SHBGALDH1A1
SCHEMBL10109560 0.81 ESR1 (0.45) ESR1ESR2SHBGALDH1A1
SCHEMBL318777 0.81 ESR1 (0.43) ESR1ESR2SHBG
SCHEMBL10109546 0.81 ESR1 (0.43) ESR1ESR2SHBG
SCHEMBL10109352 0.81 ESR2 (0.41) ESR1ESR2SHBG

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 2 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

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 ACMSD 4384/4885ESR1 6/4885ESR2 1/4885

“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.