SCHEMBL317618

SCHEMBL317618

COc1ccc(C2Cc3cc(C=O)c(O)cc3C3CCCCC23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
KDM1A O60341 3/20 0.37
CYP19A1 P11511 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL318227 0.88 ALDH1A1 (0.41) ERN1KDM1AESR1ALDH1A1KMT2A
SCHEMBL10109299 0.88 ALDH1A1 (0.41) ERN1KDM1AESR1ALDH1A1KMT2A
SCHEMBL10109352 0.88 ESR2 (0.41) CYP19A1ESR1ESR2
SCHEMBL10109277 0.79 LMNA (0.44) KDM1AKMT2A
SCHEMBL10108857 0.79 NOS3 (0.43) KDM1ACYP19A1
SCHEMBL318577 0.79 NOS3 (0.43) KDM1ACYP19A1
SCHEMBL318327 0.79 OPRM1 (0.41) KDM1ACYP19A1
SCHEMBL10109015 0.79 LMNA (0.42) KDM1ACYP19A1ESR1CYP3A4ALDH1A1
SCHEMBL10108827 0.79 OPRM1 (0.41) KDM1ACYP19A1
SCHEMBL318184 0.79 LMNA (0.42) KDM1ACYP19A1ESR1CYP3A4ALDH1A1

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 ERN1 1638/4885TRIM24 2283/4885TYR 4391/4885

“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.