SCHEMBL18243446

SCHEMBL18243446

CC[CH]c1c(CCC)cccc1CCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
GRM5 P41594 1/20 0.34
ELANE P08246 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
IAPP P10997 1/20 0.32
LIPG Q9Y5X9 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CTSG P08311 1/20 0.31
HTR1A P08908 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
SCHEMBL18243608 0.86 CYP3A4 (0.42) ALOX5PTGS2LIPG
SCHEMBL18242479 0.86 DAO (0.34) DAOGABRA1GABRB2GRM5ELANE
SCHEMBL29249201 0.83 GABRA1 (0.37) DAOGABRA1GABRB2GRM5ELANE
SCHEMBL12802671 0.81 DAO (0.36) DAOGABRA1GABRB2GRM5ELANE
SCHEMBL18243959 0.81 DAO (0.36) DAOGABRA1GABRB2GRM5ELANE
SCHEMBL18243445 0.80 GABRA1 (0.50) DAOGABRA1GABRB2HTR1A
SCHEMBL10351355 0.79 GABRA1 (0.39) DAOGABRA1GABRB2GRM5ELANE
SCHEMBL18378444 0.76 GABRA1 (0.33) DAOGABRA1GABRB2GRM5ADRA2A
SCHEMBL18241843 0.74 MITF (0.37) DAOLIPGADRA2AADRA2BADRA2C
SCHEMBL18243271 0.74 ALOX5 (0.33) ALOX5PTGS2LIPG

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 DAO 24/4885GABRA1 924/4885GABRB2 2041/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 DAO 24/4885GABRA1 924/4885GABRB2 2041/4885

“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.