SCHEMBL877015

SCHEMBL877015

COc1cc(OC)cc(Oc2c(C(=O)O)c(C)nn2C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
KDM4E B2RXH2 2/20 0.64
POLB P06746 3/20 0.44
GPBAR1 Q8TDU6 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGER4 P35408 2/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL876551 0.87 MAPT (0.66) MAPTKDM4EPOLBGPBAR1CYP1A2
SCHEMBL875983 0.84 MAPT (0.75) MAPTKDM4EPOLBGPBAR1CYP1A2
SCHEMBL8308002 0.81 KDM4E (0.56) MAPTKDM4EPOLBCYP1A2CYP3A4
SCHEMBL876883 0.81 MAPT (0.79) MAPTKDM4EPOLBGPBAR1CYP1A2
SCHEMBL876906 0.79 KDM4E (0.64) MAPTKDM4EPOLBGPBAR1CYP1A2
SCHEMBL876508 0.79 MAPT (0.67) MAPTKDM4EGPBAR1CYP1A2CYP3A4
SCHEMBL876054 0.78 KDM4E (1.00) MAPTKDM4EGPBAR1CYP1A2CYP3A4
SCHEMBL13242957 0.78 KDM4E (0.75) MAPTKDM4EPOLBGPBAR1CYP1A2
SCHEMBL877251 0.78 KDM4E (0.75) MAPTKDM4EPOLBGPBAR1CYP1A2
SCHEMBL875886 0.78 KDM4E (0.70) MAPTKDM4EPOLBGPBAR1CYP1A2

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-2619182-B1 PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2016-11-09 EP disclosed
EP-3061751-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2016-08-31 EP disclosed
US-9000024-B2 Pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-07 US disclosed
US-20140155452-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-05 US disclosed
US-20130237578-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-12 US disclosed
EP-2619182-A1 PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2013-07-31 EP disclosed
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 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 (2 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-20140155452-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 MAPT 1260/4885KDM4E 3744/4885POLB 3271/4885
US-20130237578-A1 PHARMACEUTICAL COMPOSITION CYP3A5, CYP2C19, CYP3A7 MAPT 1260/4885KDM4E 3744/4885POLB 3271/4885

“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.