SCHEMBL10108915

SCHEMBL10108915

COc1ccc2c(c1)[C@@H]1COC[C@@H]1CC2=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
CYP19A1 P11511 13/20 0.45
MAOB P27338 6/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ABCB1 P08183 1/20 0.41
AR P10275 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL318190 1.00 LMNA (0.49) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL318058 0.79 LMNA (0.47) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL10108810 0.79 LMNA (0.47) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL318173 0.79 LMNA (0.47) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL10108843 0.79 LMNA (0.47) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL5266396 0.77 KDM4E (0.56) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL6556471 0.77 GAA (0.45) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL6556481 0.77 GAA (0.45) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL6556478 0.77 GAA (0.45) LMNAGAACYP19A1MAOBCYP3A4
SCHEMBL10109092 0.74 LMNA (0.43) LMNAGAACYP19A1MAOBCYP3A4

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 LMNA 2755/4885GAA 2018/4885CYP19A1 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.