SCHEMBL18378024

SCHEMBL18378024

[O]Cc1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PGK1 P00558 2/20 0.42
PGK2 P07205 2/20 0.42
IDO1 P14902 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MIF P14174 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DAO P14920 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
EPHX1 P07099 1/20 0.37
CETP P11597 1/20 0.37
MAOB P27338 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
SCHEMBL18243098 0.89 ACP3 (0.41) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL18242746 0.87 ACP3 (0.40) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL18241876 0.85 TAAR1 (0.49) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL95854 0.83 TAAR1 (0.60) ACP3TAAR1IDO1HTR2AHTR2C
SCHEMBL18378411 0.82 TAAR1 (0.46) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL14339435 0.82 KIF11 (0.47) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL18244031 0.80 HDAC1 (0.46) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL3283996 0.80 TAAR1 (0.43) ACP3TAAR1PGK1PGK2IDO1
SCHEMBL2089239 0.80 TAAR1 (0.52) ACP3TAAR1IDO1HTR2AHTR2C
SCHEMBL2089235 0.80 TAAR1 (0.43) ACP3TAAR1PGK1PGK2IDO1

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 ACP3 4530/4885TAAR1 1102/4885PGK1 2952/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ACP3 4530/4885TAAR1 1102/4885PGK1 2952/4885

“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.