SCHEMBL13079652

SCHEMBL13079652

CCOC(=O)/C(C)=C/c1c(Cl)c(OC)c2ccccc2c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
PLIN1 O60240 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
KDM4E B2RXH2 5/20 0.40
NPSR1 Q6W5P4 4/20 0.40
GPR35 Q9HC97 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
IDO1 P14902 1/20 0.37
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GALK1 P51570 1/20 0.36
CCR6 P51684 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL13080065 1.00 MAPT (0.42) MAPTLMNAKMT2AMEN1POLB
SCHEMBL13079653 0.86 MAPT (0.41) MAPTLMNAKMT2AMEN1POLB
SCHEMBL13080054 0.86 MAPT (0.41) MAPTLMNAKMT2AMEN1POLB
SCHEMBL13049395 0.84 GPR35 (0.36) MAPTLMNAKMT2AMEN1POLB
SCHEMBL3754493 0.82 AKR1C3 (0.45) POLBKDM4ECYP1A2CYP2C9IDO1
SCHEMBL3750250 0.82 AKR1C3 (0.45) POLBKDM4ECYP1A2CYP2C9IDO1
SCHEMBL3750251 0.82 AKR1C3 (0.45) POLBKDM4ECYP1A2CYP2C9IDO1
SCHEMBL3751273 0.77 APEX1 (0.50) MAPTPOLBKDM4ECYP1A2CYP2C9
SCHEMBL3751277 0.77 APEX1 (0.50) MAPTPOLBKDM4ECYP1A2CYP2C9
SCHEMBL13894727 0.76 APEX1 (0.42) KDM4ECYP1A2CYP2C9IDO1MAPK1

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.