SCHEMBL13079653

SCHEMBL13079653

CCC/C(=C\c1c(Cl)c(OC)c2ccccc2c1OC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
LMNA P02545 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
GPR35 Q9HC97 1/20 0.37
NPSR1 Q6W5P4 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.34
CASP1 P29466 1/20 0.34
ATM Q13315 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL13080054 1.00 MAPT (0.41) MAPTLMNAKMT2AMEN1POLB
SCHEMBL3751223 0.87 APEX1 (0.40) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL3751227 0.87 APEX1 (0.40) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL13080052 0.87 APEX1 (0.40) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL13079652 0.86 MAPT (0.42) MAPTLMNAKMT2AMEN1POLB
SCHEMBL13080065 0.86 MAPT (0.42) MAPTLMNAKMT2AMEN1POLB
SCHEMBL13894559 0.81 KDM4E (0.35) LMNAKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL13894721 0.81 APEX1 (0.38) KDM4EALDH1A1SMN1; SMN2MAPK1SLC2A1
SCHEMBL13080081 0.81 KDM4E (0.37) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL13080079 0.81 KDM4E (0.37) MAPTLMNAKMT2AMEN1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 MAPT 2625/4885LMNA 4347/4885KMT2A 3060/4885

“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.