SCHEMBL318633

SCHEMBL318633

COc1cccc(C2COCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
LMNA P02545 1/20 0.46
GID4 Q8IVV7 1/20 0.45
HTR2C P28335 3/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL25187637 0.76 KDM1A (0.42) CYP19A1HTR2CMEN1NPC1KMT2A
SCHEMBL21286784 0.76 DDB1 (0.67) CYP19A1DDB1CRBNLMNAGID4
SCHEMBL28826385 0.75 CYP19A1 (0.44) CYP19A1DDB1CRBNKMT2A
SCHEMBL4101191 0.75 CYP19A1 (0.44) CYP19A1DDB1CRBNKMT2A
SCHEMBL317559 0.74 GID4 (0.63) CYP19A1DDB1CRBNLMNAGID4
SCHEMBL29042969 0.74 HTR2C (0.60) CYP19A1DDB1CRBNLMNAHTR2C
SCHEMBL182434 0.73 DDB1 (0.58) CYP19A1DDB1CRBNGID4HTR2C
SCHEMBL28722327 0.73 DDB1 (0.55) CYP19A1DDB1CRBNLMNAGID4
SCHEMBL10690037 0.73 SIRT2 (0.56) CYP19A1DDB1CRBNLMNAMEN1
SCHEMBL24516481 0.72 DDB1 (0.54) CYP19A1DDB1CRBNLMNAGID4

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 8 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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
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
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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 CYP19A1 49/4885DDB1 2574/4885CRBN 708/4885

“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.