SCHEMBL317573

SCHEMBL317573

COc1ccc(C2C(O)c3ccc(OC)cc3C3CC(C)(C)CCC32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 4/20 0.36
CYP11B1 P15538 1/20 0.36
ESR1 P03372 3/20 0.36
MAPT P10636 2/20 0.35
HSD17B1 P14061 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
CNR1 P21554 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
SCHEMBL10109049 1.00 LMNA (0.39) LMNAHSD17B10CYP19A1CYP11B1ESR1
SCHEMBL10109099 0.91 LMNA (0.43) LMNAHSD17B10CYP19A1CYP11B1ESR1
SCHEMBL316606 0.91 LMNA (0.43) LMNAHSD17B10CYP19A1CYP11B1ESR1
SCHEMBL10108818 0.82 NOS3 (0.41) LMNAHSD17B10CYP19A1CYP11B1ALDH1A1
SCHEMBL10108851 0.82 NOS3 (0.44) LMNAHSD17B10CYP19A1CYP11B1ESR1
SCHEMBL318167 0.82 NOS3 (0.44) LMNAHSD17B10CYP19A1CYP11B1ESR1
SCHEMBL318060 0.82 NOS3 (0.41) LMNAHSD17B10CYP19A1CYP11B1ALDH1A1
SCHEMBL318621 0.77 NOS3 (0.41) LMNAHSD17B10CYP19A1CYP11B1ESR1
SCHEMBL10109008 0.77 NOS3 (0.41) LMNAHSD17B10CYP19A1CYP11B1ESR1
SCHEMBL319617 0.76 KDM1A (0.39) LMNACYP19A1CYP11B1MAPTHSD17B1

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 LMNA 2755/4885HSD17B10 720/4885CYP19A1 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.