SCHEMBL319617

SCHEMBL319617

COc1ccc(C2Cc3ccc(OC)cc3C3CC(C)(C)CCC23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.39
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
CYP19A1 P11511 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10109062 1.00 KDM1A (0.39) KDM1AMAOAMAOBCYP19A1SIGMAR1
SCHEMBL318204 0.90 LMNA (0.41) KDM1AMAOAMAOBCYP19A1SIGMAR1
SCHEMBL10109104 0.90 LMNA (0.41) KDM1AMAOAMAOBCYP19A1SIGMAR1
SCHEMBL318577 0.81 NOS3 (0.43) KDM1AMAOAMAOBCYP19A1SIGMAR1
SCHEMBL10108827 0.81 OPRM1 (0.41) KDM1AMAOAMAOBCYP19A1SIGMAR1
SCHEMBL10108857 0.81 NOS3 (0.43) KDM1AMAOAMAOBCYP19A1SIGMAR1
SCHEMBL318327 0.81 OPRM1 (0.41) KDM1AMAOAMAOBCYP19A1SIGMAR1
SCHEMBL10109486 0.80 SHBG (0.40) CYP19A1SIGMAR1SLC6A2OPRM1HTR2B
SCHEMBL319613 0.80 SHBG (0.40) CYP19A1SIGMAR1SLC6A2OPRM1HTR2B
SCHEMBL317573 0.76 LMNA (0.39) CYP19A1SLC6A2SLC6A3CYP11B1ALDH1A1

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 KDM1A 2085/4885MAOA 2304/4885MAOB 2323/4885

“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.