SCHEMBL16051902

SCHEMBL16051902

CCCCCc1cccc(Br)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.65
PTGS2 P35354 1/20 0.65
TYR P14679 1/20 0.50
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
KAT8 Q9H7Z6 2/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
LIPG Q9Y5X9 1/20 0.49
EGFR P00533 2/20 0.47
ERBB2 P04626 1/20 0.47
ELANE P08246 4/20 0.46
CTSG P08311 2/20 0.46

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
SCHEMBL574313 0.98 ALOX5 (0.63) ALOX5PTGS2TYRBIDMCL1
SCHEMBL8398437 0.98 ALOX5 (0.63) ALOX5PTGS2TYRBIDMCL1
SCHEMBL11164405 0.94 ALOX5 (0.57) ALOX5PTGS2TYRBIDMCL1
SCHEMBL16788658 0.86 ALOX5 (0.47) ALOX5PTGS2EGFRERBB2ELANE
SCHEMBL2355153 0.86 ALOX5 (0.70) ALOX5PTGS2TYRBIDMCL1
SCHEMBL27489482 0.85 ALOX5 (0.50) ALOX5PTGS2TYRBIDMCL1
SCHEMBL199708 0.84 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL10926251 0.84 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL11618297 0.84 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1
SCHEMBL4962037 0.84 ALOX5 (0.68) ALOX5PTGS2TYRBIDMCL1

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-3662996-A2 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS Verbio Vereinigte BioEnergie AG (DE) 2020-06-10 EP disclosed
US-10343153-B2 Metathesis catalysts and reactions using the catalysts XIMO AG (CH) 2019-07-09 US disclosed
US-9919299-B2 Metathesis catalysts and reactions using the catalysts XIMO AG (CH) 2018-03-20 US disclosed
US-20160030936-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS VERBIO SE (DE) 2016-02-04 US disclosed
EP-2969204-A2 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS XiMo AG (CH) 2016-01-20 EP disclosed
US-20140309466-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS VERBIO SE (DE) 2014-10-16 US disclosed
WO-2014139679-A2 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS XIMO AG (CH) 2014-09-18 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 (3 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-10343153-B2 Metathesis catalysts and reactions using the catalysts MSMO1, SQLE, MOGAT2 ALOX5 220/4885PTGS2 1154/4885TYR 599/4885
US-20140309466-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS MSMO1, PYM1, SQLE ALOX5 1179/4885PTGS2 3276/4885TYR 383/4885
US-20160030936-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS MSMO1, SQLE, PYM1 ALOX5 1057/4885PTGS2 3145/4885TYR 394/4885

“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.