SCHEMBL10109388

SCHEMBL10109388

COc1ccc([C@H]2[C@H]3CCCC[C@H]3c3cc(OC)ccc3[C@H]2CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
CYP19A1 P11511 4/20 0.38
CYP11B1 P15538 1/20 0.38
PAX8 Q06710 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35

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
SCHEMBL317914 1.00 NOS3 (0.39) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL10109367 1.00 NOS3 (0.39) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL10109398 0.89 NOS3 (0.40) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL317938 0.89 NOS3 (0.40) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL10109408 0.88 NOS3 (0.39) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL317677 0.88 NOS3 (0.39) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL318288 0.85 CYP19A1 (0.38) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL10109394 0.85 CYP19A1 (0.38) NOS3NOS1NOS2CYP19A1CYP11B1
SCHEMBL318329 0.84 CHRNA7 (0.39)
SCHEMBL10109395 0.84 CHRNA7 (0.39)

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 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.