SCHEMBL717699

SCHEMBL717699

COc1ccc(OCC(=O)O)c(C(C)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.66
LMNA P02545 1/20 0.55
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
PPARD Q03181 2/20 0.49
ELANE P08246 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4147094 0.89 KDM4E (0.59) PTGDR2LMNAKMT2AMAPTKDM4E
SCHEMBL2225179 0.89 LMNA (0.57) PTGDR2LMNAKMT2AMAPTKDM4E
SCHEMBL11280545 0.86 HTT (0.51) PTGDR2LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL9774357 0.86 PTGDR2 (0.54) PTGDR2LMNAKMT2AMAPTKDM4E
SCHEMBL13064183 0.84 TSHR (0.64) LMNAKMT2AMAPTKDM4EPOLB
SCHEMBL13755295 0.84 MAPT (0.48) PTGDR2KMT2AMAPTPOLBALDH1A1
SCHEMBL4199370 0.83 MAPT (0.55) PTGDR2KMT2AMAPTKDM4EPOLB
SCHEMBL4051742 0.82 ALDH1A1 (0.52) PTGDR2KMT2AMAPTKDM4EHSD17B10
SCHEMBL9855260 0.82 PTGDR2 (0.68) PTGDR2LMNAKMT2AMAPTKDM4E
SCHEMBL29184850 0.82 PTGDR2 (0.58) PTGDR2LMNAKMT2AKDM4EPOLB

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
CN-105164112-A Amide compound and preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2015-12-16 CN disclosed
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PTGDR2 1217/4885LMNA 3028/4885KMT2A 1298/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PTGDR2 1217/4885LMNA 3028/4885KMT2A 1298/4885

“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.