SCHEMBL10109394

SCHEMBL10109394

COc1ccc([C@H]2[C@H]3CCCC[C@H]3c3cc(OC)ccc3[C@@H]2CC#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.38
CYP11B1 P15538 1/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
PAX8 Q06710 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL318288 1.00 CYP19A1 (0.38) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL317938 0.86 NOS3 (0.40) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL10109398 0.86 NOS3 (0.40) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL317914 0.85 NOS3 (0.39) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL10109388 0.85 NOS3 (0.39) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL317677 0.85 NOS3 (0.39) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL10109367 0.85 NOS3 (0.39) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL10109408 0.85 NOS3 (0.39) CYP19A1CYP11B1NOS3NOS1NOS2
SCHEMBL10109395 0.81 CHRNA7 (0.39) LMNAKMT2A
SCHEMBL318329 0.81 CHRNA7 (0.39) LMNAKMT2A

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 CYP19A1 49/4885CYP11B1 219/4885NOS3 3463/4885

“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.