SCHEMBL2394809

SCHEMBL2394809

CCn1cc(C(=O)O)c(=O)c2c1CCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCC4 O15439 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
CASP1 P29466 1/20 0.42
TSHR P16473 3/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD3 P35462 1/20 0.38

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
SCHEMBL11393782 0.84 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL8010027 0.77 CHRM1 (0.56) LMNAHDAC1HDAC6GAA
SCHEMBL2396463 0.72 CHRM1 (0.36) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL2396359 0.72 CHRM1 (0.36) KDM4EALDH1A1HPGDLMNAKMT2A
SCHEMBL15579849 0.70 HDAC1 (0.42) LMNAHDAC1HDAC6
SCHEMBL2394921 0.70 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL2397287 0.69 HDAC1 (0.48) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL7368988 0.69 MAPT (0.48) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL2396737 0.68 HDAC1 (0.52) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL10463318 0.67 TSHR (0.46) KDM4EHSD17B10ALDH1A1HPGDCYP1A2

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-2252299-B1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
EP-2252299-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-24 EP disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO disclosed
US-4263302-A ANTIBIOTICS EFFECTIVE AGAINST PSEUDOMONAS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-04-21 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 (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-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM4 KDM4E 1574/4885HSD17B10 3509/4885ALDH1A1 2232/4885

“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.