SCHEMBL317987

SCHEMBL317987

COc1ccc(OC)c2c1C(=O)CC1CCCC21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ADRA1A P35348 4/20 0.37
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLL Q9UGP5 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2C P28335 2/20 0.35
MAPT P10636 2/20 0.35
S1PR4 O95977 1/20 0.35
HSP90AA1 P07900 1/20 0.35
G6PD P11413 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL10109131 1.00 ACHE (0.43) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL9820647 0.78 ACHE (0.44) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL10108972 0.77 ACHE (0.47) ACHEKDM4ENPC1MAPTRAB9A
SCHEMBL318028 0.77 ACHE (0.47) ACHEKDM4ENPC1MAPTRAB9A
SCHEMBL11870837 0.74 ACHE (0.54) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL318401 0.72 ACHE (0.47) ACHEKDM4EALDH1A1HPGDMEN1
SCHEMBL10108876 0.72 ACHE (0.47) ACHEKDM4EALDH1A1HPGDMEN1
SCHEMBL10123120 0.72 NPC1 (0.38) ACHEKDM4EALDH1A1HPGDNPC1
SCHEMBL318776 0.72 MEN1 (0.38) ACHEKDM4ENPC1MEN1KMT2A
SCHEMBL10109421 0.72 MEN1 (0.38) ACHEKDM4ENPC1MEN1KMT2A

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 ACHE 2396/4885KDM4E 2531/4885ALDH1A1 1735/4885

“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.