SCHEMBL18243147

SCHEMBL18243147

CCCc1ccc(CCC[O])c(CCC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
BACE1 P56817 1/20 0.36
CA2 P00918 1/20 0.35
MTNR1A P48039 1/20 0.35
TYR P14679 1/20 0.34
TLR8 Q9NR97 2/20 0.33
MGLL Q99685 1/20 0.33
PLK1 P53350 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
SKP2 Q13309 1/20 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
SCHEMBL18243454 0.95 ALOX5 (0.41) ALOX5CNR1CNR2GABRA1GABRB2
SCHEMBL18242314 0.89 SKP2 (0.44) CA2TYRTLR8PLK1SKP2
SCHEMBL18242761 0.89 ALOX5 (0.45) ALOX5CNR1CNR2GABRA1GABRB2
SCHEMBL9740304 0.86 CNR1 (0.50) ALOX5CNR1CNR2GABRA1GABRB2
SCHEMBL18243587 0.84 SKP2 (0.43) CA2TYRSKP2
SCHEMBL18242292 0.82 CNR1 (0.44) ALOX5CNR1CNR2GABRA1GABRB2
SCHEMBL18241951 0.81 SKP2 (0.44) CA2TYRPLK1SKP2
SCHEMBL18242236 0.81 CNR1 (0.40) ALOX5CNR1CNR2GABRA1GABRB2
SCHEMBL18242362 0.81 DHFR (0.38) BACE1TYR
SCHEMBL28269178 0.81 TP53 (0.50) ALOX5TYRTLR8

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 ALOX5 122/4885CNR1 1008/4885CNR2 915/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALOX5 122/4885CNR1 1008/4885CNR2 915/4885

“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.