SCHEMBL319095

SCHEMBL319095

COc1ccc(OC)c(C2CCCC2CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HSD17B10 Q99714 1/20 0.46
FFAR1 O14842 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.41
PPARD Q03181 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL10109126 1.00 PTGDR2 (0.54) PTGDR2MTNR1AMTNR1BHSD17B10FFAR1
SCHEMBL318220 0.84 MTNR1A (0.48) PTGDR2MTNR1AMTNR1BFFAR1MEN1
SCHEMBL10109112 0.84 MTNR1A (0.48) PTGDR2MTNR1AMTNR1BFFAR1MEN1
SCHEMBL318067 0.83 MTNR1A (0.45) PTGDR2MTNR1AMTNR1BFFAR1MEN1
SCHEMBL10109119 0.83 MTNR1A (0.45) PTGDR2MTNR1AMTNR1BFFAR1MEN1
SCHEMBL10710538 0.80 FABP7 (0.47) PTGDR2MEN1KMT2AATMALDH1A1
SCHEMBL10108970 0.80 FABP7 (0.47) PTGDR2MEN1KMT2AATMALDH1A1
SCHEMBL317863 0.80 FABP7 (0.47) PTGDR2MEN1KMT2AATMALDH1A1
SCHEMBL318191 0.78 MTNR1A (0.42) PTGDR2MTNR1AMTNR1BFFAR1MEN1
SCHEMBL10109118 0.78 MTNR1A (0.42) PTGDR2MTNR1AMTNR1BFFAR1MEN1

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 PTGDR2 485/4885MTNR1A 245/4885MTNR1B 212/4885

“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.