SCHEMBL2234795

SCHEMBL2234795

CC(C(=O)O)=C(C)c1cc(C)c(Oc2ccc(OCc3ccccc3Cl)cn2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 1/20 0.47
NR4A2 P43354 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALKBH1 Q13686 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SLC26A4 O43511 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
GCK P35557 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LNPEP Q9UIQ6 1/20 0.36
THRB P10828 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
SCHEMBL2234783 1.00 MAOB (0.47) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL2234792 1.00 MAOB (0.47) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL2235734 0.91 MAOB (0.43) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL2235743 0.91 MAOB (0.43) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL2231827 0.89 MAOB (0.41) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL2231836 0.89 MAOB (0.41) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL13582546 0.87 MAOB (0.45) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL13582543 0.87 MAOB (0.45) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL13582548 0.87 MAOB (0.45) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL13582311 0.86 MAOB (0.42) MAOBMAOAFFAR1MAPTACACB

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-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 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-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 MAOB 783/4885MAOA 2362/4885NR4A2 116/4885

“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.