SCHEMBL10109560

SCHEMBL10109560

Cc1cc2c(cc1O)[C@@H]1CCCC[C@@H]1[C@H](c1ccc(O)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.45
ESR2 Q92731 13/20 0.45
SHBG P04278 1/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 2/20 0.36
HSD11B1 P28845 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL317766 1.00 ESR1 (0.45) ESR1ESR2SHBGALDH1A1GAA
SCHEMBL318429 0.89 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109554 0.89 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109546 0.84 ESR1 (0.43) ESR1ESR2SHBGCYP19A1DRD2
SCHEMBL318777 0.84 ESR1 (0.43) ESR1ESR2SHBGCYP19A1DRD2
SCHEMBL318350 0.84 CYP3A4 (0.47) ESR1ESR2SHBGGAACYP19A1
SCHEMBL10109549 0.84 ESR1 (0.41) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109558 0.84 CYP3A4 (0.47) ESR1ESR2SHBGGAACYP19A1
SCHEMBL317955 0.84 ESR1 (0.41) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109563 0.84 ESR1 (0.41) ESR1ESR2SHBGDRD2DRD1

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 ESR1 6/4885ESR2 1/4885SHBG 15/4885

“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.