SCHEMBL318634

SCHEMBL318634

COc1cccc(C2=COCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
GAA P10253 1/20 0.45
NOTUM Q6P988 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
BRD4 O60885 2/20 0.43
ALOX5 P09917 1/20 0.43
GALR1 P47211 1/20 0.43
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 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
SCHEMBL27548534 0.76 GABRP (0.42) NOTUMGALR1
SCHEMBL9850097 0.73 NCOA1 (0.48) HDAC4HDAC8GAANOTUMALDH1A1
SCHEMBL9727963 0.72 HDAC4 (0.50) HDAC4HDAC8GAANOTUMALDH1A1
SCHEMBL5231493 0.72 NCOA1 (0.54) HDAC4HDAC8GAANOTUMALDH1A1
SCHEMBL196765 0.71 CYP3A4 (0.73) HDAC4HDAC8GAANOTUMALDH1A1
SCHEMBL29489425 0.71 CYP3A4 (0.73) HDAC4HDAC8GAANOTUMALDH1A1
SCHEMBL6341308 0.70 PTGS1 (0.66) ALOX5KMT2A
SCHEMBL10849551 0.70 GAA (0.47) HDAC4HDAC8GAANOTUMALDH1A1
Hydrogen Sulfide SCHEMBL28640169 0.69 CYP3A4 (0.70) HDAC4HDAC8GAANOTUMALDH1A1
SCHEMBL29628977 0.69 CYP3A4 (0.77) HDAC4HDAC8GAANOTUMALDH1A1

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 HDAC4 2735/4885HDAC8 2524/4885GAA 2018/4885

“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.