SCHEMBL18378295

SCHEMBL18378295

CC[CH]c1ccc(Br)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A3 P47895 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ PNMT P11086 1/20 0.34

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
SCHEMBL18242439 0.85 HTT (0.36) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL27933794 0.80 ALOX15 (0.38) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL1384884 0.76 ALOX15 (0.42) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL27885418 0.75 MEN1 (0.42) ALDH1A1TDP1L3MBTL1HPGDTSHR
SCHEMBL4892657 0.71 HSD11B1 (0.43) ALDH1A1HSP90AA1TSHRALDH1A3CYP1A2
SCHEMBL29413980 0.71 ALOX15 (0.42) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL1162125 0.71 ERN1 (0.56) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL183266 0.71 ALOX15 (0.42) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL18242127 0.71 ALOX15 (0.38) ALOX15ALDH1A1MAPK1HSP90AA1TLR9
SCHEMBL28702504 0.70 ALOX15 (0.41) ALOX15ALDH1A1MAPK1HSP90AA1TLR9

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 ALOX15 192/4885ALDH1A1 151/4885MAPK1 1089/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALOX15 192/4885ALDH1A1 151/4885MAPK1 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.

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