SCHEMBL18378296

SCHEMBL18378296

[CH2]CCc1ccc(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.41
ALOX15 P16050 1/20 0.39
MAPK1 P28482 2/20 0.38
HSP90AA1 P07900 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.33
AHR P35869 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HTR2A P28223 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL18242441 0.87 PYCR1 (0.39) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL839544 0.81 PYCR1 (0.43) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL10831466 0.79 PYCR1 (0.42) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL1311178 0.78 PDPK1 (0.44) PYCR1
SCHEMBL11451577 0.77 PYCR1 (0.44) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL18378343 0.77 HSP90AA1 (0.43) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL4798355 0.77 ALOX15 (0.44) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL1648129 0.76 PYCR1 (0.40) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL7955333 0.75 ALOX15 (0.46) PYCR1ALOX15MAPK1HSP90AA1TLR9
SCHEMBL3432306 0.74

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 4 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
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN 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
CN-105764885-A Acid- and radical-generating agent and method for generating acid and radical 和光纯药工业株式会社 2016-07-13 CN 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 PYCR1 166/4885ALOX15 192/4885MAPK1 1089/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PYCR1 166/4885ALOX15 192/4885MAPK1 1089/4885

“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.