SCHEMBL18242591

SCHEMBL18242591

CCCc1cc(CCC)c([C](C)C)c(CCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
PTPN11 Q06124 2/20 0.41
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 1/20 0.37
PRKCI P41743 1/20 0.36
HMGCR P04035 1/20 0.35
PTGS2 P35354 3/20 0.34
CYP3A4 P08684 2/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
CA12 O43570 1/20 0.34
MTNR1A P48039 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRA1 P14867 2/20 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
SCHEMBL18242444 0.83 HPGD (0.48) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL1023215 0.76 DHFR (0.45) PTPN1PTPN11CNR1CNR2ALOX5
SCHEMBL18378648 0.74 PRKCI (0.41) ALOX5PRKCIPTGS2LIPGCA12
SCHEMBL11355625 0.73 HTT (0.37) PTPN1PTPN11CNR1CNR2ALOX5
SCHEMBL11684526 0.73 HPGD (0.37) PTPN1PTPN11CNR1CNR2ALOX5
SCHEMBL6941987 0.72 PTPN1 (0.41) PTPN1PTPN11CNR1CNR2ALOX5
SCHEMBL18377982 0.72 CNR1 (0.47) CNR1CNR2ALOX5LPLLIPG
SCHEMBL16575403 0.71 CNR1 (0.35) PTPN1PTPN11CNR1CNR2ALOX5
SCHEMBL16575401 0.71 HMGCR (0.38) PTPN1PTPN11CNR1CNR2ALOX5
SCHEMBL6131303 0.71 GABRA1 (0.37) CNR1CNR2ALOX5CYP3A4NPC1

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 PTPN1 3116/4885PTPN11 3255/4885CNR1 1008/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PTPN1 3116/4885PTPN11 3255/4885CNR1 1008/4885

“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.