SCHEMBL18378337

SCHEMBL18378337

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 2/20 0.37
BACE1 P56817 1/20 0.34
CA2 P00918 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
NCEH1 Q6PIU2 1/20 0.33
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
MGLL Q99685 1/20 0.32
PLK1 P53350 1/20 0.32
SKP2 Q13309 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
THRB P10828 1/20 0.31
F2RL1 P55085 2/20 0.31
MTNR1A P48039 1/20 0.31

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
SCHEMBL18242462 0.87 SKP2 (0.44) CA2PLK1SKP2
SCHEMBL18242096 0.86 CNR1 (0.40) CNR1CNR2ALOX5BACE1CA2
SCHEMBL18243146 0.81 CNR1 (0.39) CNR1CNR2ALOX5BACE1CA2
SCHEMBL18242755 0.80 ALDH1A1 (0.39) BACE1CA2GABRA1GABRB2
SCHEMBL18243453 0.79 CNR1 (0.38) CNR1CNR2ALOX5BACE1CA2
SCHEMBL18242068 0.77 PTPN1 (0.31) ALOX5
SCHEMBL18377997 0.77 ADRA2A (0.42) GABRA1GABRB2
SCHEMBL18241950 0.72 SKP2 (0.46) CA2PLK1SKP2
SCHEMBL18242770 0.72 ACACB (0.44) CNR1CNR2CA2POLBCTDSP1
SCHEMBL9740304 0.71 CNR1 (0.50) CNR1CNR2ALOX5BACE1CA2

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

“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.