SCHEMBL18241978

SCHEMBL18241978

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[CH]Cc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2D6 P10635 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 4/20 0.37
HTT P42858 1/20 0.37
ACP3 P15309 1/20 0.37
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL18242280 0.95 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18242605 0.88 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL5255382 0.81 CYP2C19 (0.47) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18243400 0.74 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18243166 0.71 RXRA (0.38) TDP1MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL18378388 0.71 CYP1A2 (0.44) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL8378939 0.71 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL5830944 0.70 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18242557 0.69 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9CYP2D6TDP1
SCHEMBL18243613 0.69 CTNNB1 (0.43) CYP2C19CYP1A2CYP2C9CYP2D6TDP1

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.