SCHEMBL21729951

SCHEMBL21729951

CCCc1cccc(Oc2ncc(Cl)cn2)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL9195683 0.73 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL13964519 0.73 PTGS2 (0.49) LTB4RLTB4R2SMN1; SMN2MEN1KMT2A
SCHEMBL9192280 0.72 L3MBTL1 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL28541193 0.70 LTB4R (0.44) SLC6A2SLC6A4SLC6A3LTB4RLTB4R2
SCHEMBL2696345 0.69 LTB4R (0.36) L3MBTL1SLC6A2SLC6A4SLC6A3LTB4R
SCHEMBL12719467 0.69 TAAR1 (0.43) SLC6A2SLC6A4SLC6A3SMN1; SMN2MEN1
SCHEMBL20398358 0.69 SMN1; SMN2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL25336630 0.68 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL1838058 0.67 LTB4R (0.46) LTB4RLTB4R2
SCHEMBL26918857 0.67 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055826-A1 PYRIMIDINYLOXY BENZO-FUSED COMPOUNDS AS HERBICIDES FMC CORPORATION 2020-02-20 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-20200055826-A1 PYRIMIDINYLOXY BENZO-FUSED COMPOUNDS AS HERBICIDES DDT, CNPY2, CBR3 CYP1A2 130/4885CYP3A4 407/4885CYP2C19 222/4885

“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.