SCHEMBL4856004

SCHEMBL4856004

COC(=O)/C=C(\C)c1ccc2cc[nH]c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.43
MAPK14 Q16539 2/20 0.42
PARP1 P09874 2/20 0.37
CHEK1 O14757 3/20 0.37
SLC2A1 P11166 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ENPP2 Q13822 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATIC P31939 1/20 0.34

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
SCHEMBL30159669 0.80 KDM4E (0.48) ROCK2MAPK14PARP1CHEK1KDM4E
SCHEMBL2116289 0.80 KDM4E (0.48) ROCK2MAPK14PARP1CHEK1KDM4E
SCHEMBL17277754 0.78 SLC2A1 (0.54) ROCK2MAPK14PARP1CHEK1SLC2A1
SCHEMBL6642826 0.75 POLB (0.39) SMN1; SMN2KDM4E
SCHEMBL1145075 0.74 KDM4E (0.61) ROCK2MAPK14PARP1CHEK1KDM4E
SCHEMBL30159472 0.74 KDM4E (0.61) ROCK2MAPK14PARP1CHEK1KDM4E
SCHEMBL2118663 0.73 MAPK14 (0.50) ROCK2MAPK14PARP1CHEK1
SCHEMBL12647234 0.72 MAPK14 (0.44) ROCK2MAPK14PARP1CHEK1SMN1; SMN2
SCHEMBL986740 0.72 KDM4E (0.58) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12663938 0.72 MAPK14 (0.44) ROCK2MAPK14PARP1CHEK1SLC2A1

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-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US 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 (2 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB ROCK2 2127/4885MAPK14 3985/4885PARP1 4760/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB ROCK2 2036/4885MAPK14 3804/4885PARP1 4628/4885

“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.