SCHEMBL2234688

SCHEMBL2234688

CC(=CC(=O)O)c1cc(C)c(Oc2ccc(OCc3ccc(C)cc3)cn2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
ACACB O00763 3/20 0.40
ACACA Q13085 2/20 0.40
PARP10 Q53GL7 1/20 0.38
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
FFAR1 O14842 1/20 0.36
P4HTM Q9NXG6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.35
GRM2 Q14416 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2234682 1.00 MAOB (0.41) MAOBACACBACACAPARP10LTB4R
SCHEMBL2234686 1.00 MAOB (0.41) MAOBACACBACACAPARP10LTB4R
SCHEMBL13582309 0.87 MAOB (0.42) MAOBACACBACACAPARP10ALDH1A1
SCHEMBL13582311 0.87 MAOB (0.42) MAOBACACBACACAPARP10ALDH1A1
SCHEMBL13582306 0.87 MAOB (0.42) MAOBACACBACACAPARP10ALDH1A1
SCHEMBL13582546 0.86 MAOB (0.45) MAOBACACBACACALTB4RLTB4R2
SCHEMBL13582548 0.86 MAOB (0.45) MAOBACACBACACALTB4RLTB4R2
SCHEMBL13582543 0.86 MAOB (0.45) MAOBACACBACACALTB4RLTB4R2
Bromide SCHEMBL13582192 0.85 HRH3 (0.42) ALDH1A1MAPTKDM4EHRH3
Bromide SCHEMBL13582566 0.85 HRH3 (0.42) ALDH1A1MAPTKDM4EHRH3

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 783/4885ACACB 2540/4885ACACA 3573/4885

“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.