SCHEMBL20867657

SCHEMBL20867657

COc1cc(OC)c2nc(C3CCCCC3)cc(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUND P17535 1/20 0.40
FOSB P53539 1/20 0.40
PDE10A Q9Y233 1/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
MEN1 O00255 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
JAK2 O60674 1/20 0.38
NQO2 P16083 2/20 0.38
CYP19A1 P11511 1/20 0.38
CRHR1 P34998 1/20 0.37
PSMB5 P28074 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL20867656 0.75 MAPT (0.50) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL22196185 0.72 KMT2A (0.44) JUNDFOSBPDE10AKMT2ASMN1; SMN2
SCHEMBL16018026 0.70 CNR2 (0.40) KMT2AMEN1HTR2A
SCHEMBL20855332 0.70 NQO2 (0.42) JUNDFOSBPDE10AKMT2ASMN1; SMN2
SCHEMBL20867655 0.70 NQO2 (0.45) JUNDFOSBPDE10AKMT2ASMN1; SMN2
SCHEMBL19943971 0.69 ABCB1 (0.45) KMT2AMEN1
SCHEMBL16009514 0.68 MAP2K3 (0.40) KMT2AMEN1GAAHTR2A
SCHEMBL20855334 0.67 ALOX5 (0.39) NQO2CYP19A1
SCHEMBL12135957 0.66 KMT2A (0.47) JUNDFOSBPDE10AKMT2ASMN1; SMN2
SCHEMBL6468971 0.66 KMT2A (0.44) JUNDFOSBPDE10AKMT2ASMN1; SMN2

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 JUND 2578/4885FOSB 2115/4885PDE10A 4610/4885

“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.