SCHEMBL318645

SCHEMBL318645

COc1ccc(C2C(COS(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc3C3CCCCC32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP19A1 P11511 4/20 0.35
KMT2A Q03164 1/20 0.35
FKBP1A P62942 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC6A9 P48067 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
SCHEMBL10109370 1.00 CA1 (0.36) CA1CA2CA9CA14LMNA
SCHEMBL317677 0.82 NOS3 (0.39) CYP19A1KMT2AALDH1A1CYP11B1
SCHEMBL10109408 0.82 NOS3 (0.39) CYP19A1KMT2AALDH1A1CYP11B1
SCHEMBL317938 0.79 NOS3 (0.40) CYP19A1KMT2AALDH1A1CYP11B1
SCHEMBL10109398 0.79 NOS3 (0.40) CYP19A1KMT2AALDH1A1CYP11B1
SCHEMBL10123206 0.78 BCHE (0.31) BCHEACHE
SCHEMBL10109367 0.78 NOS3 (0.39) CYP19A1CYP11B1
SCHEMBL10109388 0.78 NOS3 (0.39) CYP19A1CYP11B1
SCHEMBL317914 0.78 NOS3 (0.39) CYP19A1CYP11B1
SCHEMBL10109394 0.75 CYP19A1 (0.38) LMNACYP19A1KMT2AALDH1A1CYP11B1

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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO 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 CA1 2723/4885CA2 4093/4885CA9 4635/4885

“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.