SCHEMBL13581908

SCHEMBL13581908

CC(=Cc1cc(C)c(Oc2ccc(OCc3ccc(C)cc3)cn2)c(Cl)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
ACACB O00763 3/20 0.40
ACACA Q13085 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAOB P27338 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FFAR1 O14842 1/20 0.36
P4HTM Q9NXG6 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL13581907 1.00 MCL1 (0.40) MCL1ACACBACACATHRATHRB
SCHEMBL13582395 0.86 MAOB (0.43) ACACBACACATHRBMAOBMAPT
SCHEMBL13582401 0.86 MAOB (0.43) ACACBACACATHRBMAOBMAPT
SCHEMBL13582466 0.86 AKR1C3 (0.42) ACACBACACATHRATHRBMAOB
SCHEMBL13582469 0.86 AKR1C3 (0.42) ACACBACACATHRATHRBMAOB
SCHEMBL13582311 0.85 MAOB (0.42) MCL1ACACBACACATHRATHRB
SCHEMBL13582306 0.85 MAOB (0.42) MCL1ACACBACACATHRATHRB
SCHEMBL13582309 0.85 MAOB (0.42) MCL1ACACBACACATHRATHRB
Hydrochloric Acid SCHEMBL2233122 0.84 HRH3 (0.41) KDM4EHRH3MAPTSMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL13582987 0.84 HRH3 (0.41) KDM4EHRH3MAPTSMN1; SMN2FFAR1

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 5 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
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

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 MCL1 98/4885ACACB 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.