SCHEMBL18242539

SCHEMBL18242539

C[CH]c1c(CCC)cc(CCC)cc1CCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HMGCR P04035 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31
MTNR1A P48039 1/20 0.31
PLK1 P53350 1/20 0.31
PTGS2 P35354 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL18241871 0.83 NPC1 (0.44) CYP3A4CA2PLK1PTGS2
SCHEMBL1264810 0.82 THRB (0.37) ALOX5CNR1CNR2CYP3A4ALDH1A1
SCHEMBL18243271 0.82 ALOX5 (0.33) ALOX5CNR1CNR2CYP3A4ALDH1A1
SCHEMBL18378563 0.78 ALOX5 (0.32) ALOX5CNR1CNR2CYP3A4ALDH1A1
SCHEMBL18243666 0.77 ALOX5 (0.31) ALOX5CNR1CNR2CYP3A4ALDH1A1
SCHEMBL18243959 0.74 DAO (0.36) ALOX5MTNR1APTGS2LIPG
SCHEMBL11355625 0.73 HTT (0.37) ALOX5CNR1CNR2CYP3A4ALDH1A1
SCHEMBL11684526 0.73 HPGD (0.37) ALOX5CNR1CNR2CYP3A4ALDH1A1
SCHEMBL5342671 0.72 HTT (0.39) ALOX5CNR1CNR2CYP3A4ALDH1A1
SCHEMBL18241989 0.72 CNR1 (0.42) ALOX5CNR1CNR2CA2PLK1

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.