SCHEMBL18243233

SCHEMBL18243233

CCc1ccc(C(C)[O])c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
BACE1 P56817 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
AKT1 P31749 1/20 0.33
ELANE P08246 1/20 0.33
PTGS2 P35354 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL9735709 0.85 CYP1A2 (0.43) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL18242755 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL7514265 0.82 TRPA1 (0.42) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL18242360 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL31206567 0.79 NPC1 (0.41) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL538823 0.79 NPC1 (0.41) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL96519 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL8750462 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL96518 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL18242808 0.79 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1NPC1LMNA

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 ALDH1A1 151/4885MAPK1 1089/4885L3MBTL1 3787/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885MAPK1 1089/4885L3MBTL1 3787/4885

“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.