SCHEMBL4114758

SCHEMBL4114758

CCN(CCC(C)C)C(=O)Cn1c2c(c3ccc(OC)cc31)C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSPO P30536 7/20 0.40
MC4R P32245 2/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
PDE5A O76074 1/20 0.37
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL4107299 0.96 KDM4E (0.47) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3988203 0.88 HSD17B10 (0.44) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3994092 0.88 KDM4E (0.46) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4096879 0.86 KDM4E (0.50) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3988858 0.84 KDM4E (0.48) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4102384 0.84 HSD17B10 (0.44) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4119258 0.82 KDM4E (0.46) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4106665 0.81 TSPO (0.39) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL14191560 0.80 ALDH1A1 (0.54) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3988515 0.80 KDM4E (0.55) KDM4EALDH1A1MAPK1HTTHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP claimed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP claimed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 WO claimed
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP disclosed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP disclosed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 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-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNH2, KCNN1, KCNH3 KDM4E 1326/4885ALDH1A1 979/4885MAPK1 512/4885

“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.