SCHEMBL7039449

SCHEMBL7039449

CO[CH]c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
RELA Q04206 1/20 0.53
ACHE P22303 4/20 0.48
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
FBP1 P09467 1/20 0.44
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL28665112 0.78 RELA (0.59) TP53TDP1NPC1CASP3SENP8
SCHEMBL13930343 0.78 RELA (0.59) TP53TDP1NPC1CASP3SENP8
SCHEMBL3647541 0.76 ALDH1A1 (0.54) NPC1ALDH1A1MAPK1PIM1PIM2
SCHEMBL27448563 0.76 CYP19A1 (0.52) TP53TDP1NPC1ALDH1A1MAOA
SCHEMBL3675720 0.76 CHRM5 (0.62) TDP1RELAACHEFBP1CYP1A2
SCHEMBL7039420 0.76 NFE2L2 (0.58) NPC1RELAACHEPTGS1PTGS2
SCHEMBL3819677 0.76 RELA (0.55) RELAFBP1CYP1A2MAPT
Methoxymethane SCHEMBL28665113 0.76 TP53 (0.87) TP53TDP1NPC1CASP3SENP8
SCHEMBL21847980 0.75 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8
SCHEMBL1795132 0.75 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 TP53 4658/4885TDP1 1803/4885NPC1 3001/4885

“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.