SCHEMBL3988515

SCHEMBL3988515

COc1ccc2c3c(n(CC(=O)O)c2c1)CCCC3=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.50
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL4115461 0.88 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL14191560 0.87 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL3994268 0.84 HSD17B10 (0.62) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL4096879 0.83 KDM4E (0.50) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL6920011 0.83 MAPK1 (0.54) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL4107299 0.82 KDM4E (0.47) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL3988858 0.82 KDM4E (0.48) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL4110870 0.81 KDM4E (0.48) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL4110862 0.81 KDM4E (0.48) KDM4EHSD17B10ALDH1A1MAPK1HTT
SCHEMBL4109394 0.81 KDM4E (0.48) KDM4EHSD17B10ALDH1A1MAPK1HTT

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 6 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 disclosed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
US-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 US 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 1326/4885HSD17B10 1979/4885ALDH1A1 979/4885

“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.