SCHEMBL18242557

SCHEMBL18242557

ClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)[CH]Cc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 1/20 0.42
ACP3 P15309 1/20 0.41
CYP2D6 P10635 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
NR1I2 O75469 2/20 0.36
SLC6A2 P23975 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL18243900 0.95 CYP2C19 (0.41) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL18378388 0.90 CYP1A2 (0.44) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL18243400 0.82 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL5255382 0.75 CYP2C19 (0.47) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL18242605 0.72 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL5252900 0.72 CYP1A2 (0.52) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL5830944 0.72 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL18242787 0.70 RXRA (0.39) CYP2C19CYP1A2CYP2C9TDP1MEN1
SCHEMBL18242280 0.70 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9ACP3CYP2D6
SCHEMBL10499434 0.69 CYP1A2 (0.48) CYP2C19CYP1A2CYP2C9ACP3CYP2D6

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 CYP2C19 575/4885CYP1A2 360/4885CYP2C9 443/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP2C19 575/4885CYP1A2 360/4885CYP2C9 443/4885

“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.