SCHEMBL18378693

SCHEMBL18378693

Cc1cccc([CH]C(C)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 2/20 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
ACHE P22303 4/20 0.48
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
ALOX5 P09917 1/20 0.46
RELA Q04206 1/20 0.44
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
MAPT P10636 2/20 0.38
HTT P42858 1/20 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
SCHEMBL3833100 0.78 RELA (0.55) TP53TDP1NPC1CASP3SENP8
SCHEMBL3833096 0.78 RELA (0.55) TP53TDP1NPC1CASP3SENP8
SCHEMBL10443088 0.76
SCHEMBL28285285 0.76 TP53 (0.34) TP53TDP1
SCHEMBL14157350 0.76 TYR (0.42) TP53TDP1PTGS1ALDH1A1MAPT
SCHEMBL18378053 0.76 APP (0.46) TP53TDP1
SCHEMBL18242502 0.76 ALDH1A1 (0.54) ALDH1A1MAPK1PIM1PIM2MAPT
SCHEMBL1176403 0.76 CYP19A1 (0.52) TP53TDP1NPC1ALDH1A1MAPT
SCHEMBL18243495 0.76 NFE2L2 (0.58) NPC1ACHEPTGS1PTGS2RELA
SCHEMBL18243444 0.76 CHRM5 (0.52) RELAFBP1CYP1A2ALDH1A1PIM1

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TP53 4315/4885TDP1 3467/4885NPC1 3627/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TP53 4315/4885TDP1 3467/4885NPC1 3627/4885

“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.