SCHEMBL20855334

SCHEMBL20855334

CCCCCCCc1cc(C)c2cc(OC)cc(OC)c2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.39
GPR84 Q9NQS5 1/20 0.38
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTGS2 P35354 2/20 0.38
NQO2 P16083 2/20 0.37
CYP19A1 P11511 1/20 0.37
KCNH2 Q12809 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
SCHEMBL20861714 0.80 NQO2 (0.34) NQO2CYP19A1KCNH2
SCHEMBL20867654 0.79 ACHE (0.43)
SCHEMBL20867658 0.75 LTA4H (0.41)
SCHEMBL20867656 0.74 MAPT (0.50) NQO2CYP19A1
SCHEMBL27987105 0.73 ALOX5 (0.56) ALOX5GPR84PTGS2
SCHEMBL31287819 0.73 PTGS2 (0.51) ALOX5GPR84HRH2HRH3PTGS2
SCHEMBL10513245 0.72 NOS2 (0.47) HRH2HRH3KCNH2
SCHEMBL22196185 0.71 KMT2A (0.44) NQO2CYP19A1
SCHEMBL31278147 0.69 HRH2 (0.55) GPR84HRH2HRH3PTGS2KCNH2
SCHEMBL8277994 0.69 KCNH2 (0.41) ALOX5HRH2HRH3PTGS2KCNH2

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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 ALOX5 528/4885GPR84 3377/4885HRH2 895/4885

“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.