SCHEMBL18378116

SCHEMBL18378116

CC[CH]c1c(Br)cccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GRM2 Q14416 3/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PLCG1 P19174 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ BLM P54132 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 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
SCHEMBL18243552 0.83 GABRA1 (0.34) GABRA1GABRB2TSHRALDH1A1GRM2
SCHEMBL11155156 0.74 CYP3A4 (0.38) GABRA1GABRB2TSHRLMNAALDH1A3
SCHEMBL4796485 0.72 ALDH1A1 (0.39) GABRA1GABRB2TSHRALDH1A1MAPK1
SCHEMBL320296 0.72 TP53 (0.37) GABRA1GABRB2TSHRALDH1A1MAPK1
SCHEMBL4892657 0.72 HSD11B1 (0.43) TSHRALDH1A1CYP2D6CYP1A2NFKB1
SCHEMBL1461201 0.70 NFE2L2 (0.44) L3MBTL1
SCHEMBL18378438 0.70 TAAR1 (0.31) TAAR1
SCHEMBL724975 0.70 CYP2A6 (0.41) TSHRALDH1A1MAPK1CYP1A2CA1
SCHEMBL16293471 0.69 ALDH1A1 (0.48) GABRA1GABRB2TSHRALDH1A1MAPK1
SCHEMBL18243445 0.68 GABRA1 (0.50) GABRA1GABRB2TAAR1L3MBTL1

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 GABRA1 924/4885GABRB2 2041/4885TSHR 648/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885TSHR 648/4885

“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.

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