SCHEMBL5149643

SCHEMBL5149643

CCC(CC)(OC)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL31742092 0.86 MAPT (0.44) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL14935736 0.74 MAPT (0.40) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL11389357 0.73 KMT2A (0.34) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL12390037 0.72 MAPT (0.43) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL17965538 0.72 MAPT (0.47) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL13992793 0.72 MAPT (0.47) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL10288809 0.72 MAPT (0.47) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL11344895 0.72 IDO1 (0.41) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL74549 0.72 MAPT (0.44) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10040365 0.72 MAPT (0.38) MAPTRIPK1MEN1KMT2AALDH1A1

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
US-7247761-B2 Method for the production of aryl-aryl coupled compounds MERCK PATENT GMBH (DE) 2007-07-24 US disclosed
CN-1320021-C Method for the production of aryl-aryl coupled compounds COVION ORGANIC SEMICONDUCTORS (DE) 2007-06-06 CN disclosed
EP-1537161-B1 METHOD FOR THE PRODUCTION OF ARYL-ARYL COUPLED COMPOUNDS COVION ORGANIC SEMICONDUCTORS (DE) 2006-03-29 EP disclosed
US-20060058524-A1 Method for the production of aryl-aryl coupled compounds COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2006-03-16 US disclosed
CN-1705696-A Method for the production of aryl-aryl coupled compounds COVION ORGANIC SEMICONDUCTORS (DE) 2005-12-07 CN disclosed
EP-1537161-A1 METHOD FOR THE PRODUCTION OF ARYL-ARYL COUPLED COMPOUNDS Covion Organic Semiconductors GmbH (DE) 2005-06-08 EP disclosed
WO-2004022626-A1 METHOD FOR THE PRODUCTION OF ARYL-ARYL COUPLED COMPOUNDS COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-03-18 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-20060058524-A1 Method for the production of aryl-aryl coupled compounds TYR, AHR, ARSA MAPT 1554/4885TP53 3749/4885CYP3A4 57/4885

“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.