SCHEMBL18243140

SCHEMBL18243140

[O]C(Br)Cc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.54
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACP3 P15309 1/20 0.48
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SLC6A4 P31645 1/20 0.43
MMP9 P14780 1/20 0.42
MTNR1A P48039 1/20 0.42

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
SCHEMBL9252340 0.85 CYP1A2 (0.52) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL7394253 0.83 CTNNB1 (0.54) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL11674881 0.82 CYP1A2 (0.50) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL8377380 0.82 TDP1 (0.53) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL8375013 0.82 CTNNB1 (0.53) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL18244136 0.82 CTNNB1 (0.53) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL6307855 0.82 CTNNB1 (0.53) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL15750884 0.82 CTNNB1 (0.57) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL6618927 0.81 CTNNB1 (0.49) CTNNB1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL6684873 0.80 CTNNB1 (0.47) CTNNB1CYP1A2CYP2C19CYP2C9TDP1

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 CTNNB1 4477/4885CYP1A2 360/4885CYP2C19 575/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CTNNB1 4477/4885CYP1A2 360/4885CYP2C19 575/4885

“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.