SCHEMBL18243264

SCHEMBL18243264

[O]CCc1c(Br)cc(Br)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ERN1 O75460 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TLR9 Q9NR96 1/20 0.32
GPR17 Q13304 1/20 0.32
NQO1 P15559 1/20 0.32
AHR P35869 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
SCHEMBL18242246 0.85 CYP3A4 (0.35) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL18243483 0.83 CYP3A4 (0.33) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL22653561 0.83 TDP1 (0.45) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL1046751 0.78 CYP3A4 (0.41) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL10454321 0.76 TDP1 (0.39) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL18242189 0.74 TAAR1 (0.34) GABRA1GABRB2GPR17
SCHEMBL22390790 0.74 CYP3A4 (0.43) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11155175 0.74 CYP3A4 (0.38) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL1646274 0.72 CYP3A4 (0.36) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11157916 0.70 CYP3A4 (0.35) CYP3A4TSHRTDP1GABRA1GABRB1

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 CYP3A4 1029/4885TSHR 648/4885TDP1 3467/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP3A4 1029/4885TSHR 648/4885TDP1 3467/4885

“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.