SCHEMBL18378352

SCHEMBL18378352

CCCC([O])c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
CTSA P10619 1/20 0.38
SLC6A9 P48067 2/20 0.37
C1S P09871 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL18241853 0.84 PARP1 (0.44) PARP1L3MBTL1ALDH1A1IDO1TDO2
SCHEMBL22306322 0.82 IDO1 (0.41) L3MBTL1ALDH1A1IDO1TDO2MAPK1
SCHEMBL18242949 0.81 TAS1R3 (0.45) PARP1ALDH1A1MAPK1SLC6A9SLC6A2
SCHEMBL21726124 0.81 PARP1 (0.42) PARP1L3MBTL1ALDH1A1IDO1TDO2
SCHEMBL15698519 0.81 IDO1 (0.40) L3MBTL1ALDH1A1IDO1TDO2MAPK1
SCHEMBL15721667 0.81 PARP1 (0.42) PARP1L3MBTL1ALDH1A1IDO1TDO2
SCHEMBL10520837 0.79 IDO1 (0.39) L3MBTL1ALDH1A1IDO1TDO2MAPK1
SCHEMBL18244098 0.79 OPRM1 (0.43) ALDH1A1MAPT
SCHEMBL18242587 0.79 SLC6A3 (0.41) IDO1SLC6A2SLC6A4
SCHEMBL18243567 0.79 PTGS2 (0.40) L3MBTL1ALDH1A1MAPK1MAPTSLC6A2

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 PARP1 1166/4885L3MBTL1 3787/4885ALDH1A1 151/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PARP1 1166/4885L3MBTL1 3787/4885ALDH1A1 151/4885

“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.