SCHEMBL318614

SCHEMBL318614

COc1ccc(C2Cc3ccc(OC)cc3C3COCC23)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYP19A1 P11511 3/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
OPRM1 P35372 1/20 0.38
CYP11B1 P15538 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
FPR2 P25090 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL10108928 1.00 KDM1A (0.40) KDM1AMAOAMAOBALDH1A1NQO2
SCHEMBL10108827 0.80 OPRM1 (0.41) KDM1AMAOAMAOBCYP19A1OPRM1
SCHEMBL10108857 0.80 NOS3 (0.43) KDM1AMAOAMAOBCYP19A1OPRM1
SCHEMBL318327 0.80 OPRM1 (0.41) KDM1AMAOAMAOBCYP19A1OPRM1
SCHEMBL318577 0.80 NOS3 (0.43) KDM1AMAOAMAOBCYP19A1OPRM1
SCHEMBL10109471 0.76 ESR2 (0.42) ALOX15ALOX12
SCHEMBL319617 0.74 KDM1A (0.39) KDM1AMAOAMAOBALDH1A1CYP19A1
SCHEMBL10109104 0.74 LMNA (0.41) KDM1AMAOAMAOBALDH1A1CYP19A1
SCHEMBL10109062 0.74 KDM1A (0.39) KDM1AMAOAMAOBALDH1A1CYP19A1
SCHEMBL318204 0.74 LMNA (0.41) KDM1AMAOAMAOBALDH1A1CYP19A1

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.