SCHEMBL18242589

SCHEMBL18242589

CC([O])c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE2A O00408 2/20 0.37
MC4R P32245 1/20 0.36
HSD11B1 P28845 1/20 0.36
APLNR P35414 2/20 0.36
SLC6A2 P23975 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
SCHEMBL18243712 0.83 CES2 (0.44) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL29453752 0.82 CES2 (0.43) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL14774740 0.82 CES2 (0.43) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL84105 0.81 CES2 (0.46) CES2CES1IDO1TDO2ALDH1A1
Ammonia Solution, Strong SCHEMBL7989997 0.79 CES2 (0.44) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL12490802 0.78 CES2 (0.41) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL7337984 0.77 CES2 (0.43) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL17897218 0.77 CES2 (0.43) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL17897217 0.77 CES2 (0.43) CES2CES1IDO1TDO2ALDH1A1
SCHEMBL17947416 0.77 CES2 (0.52) CES2CES1IDO1TDO2ALDH1A1

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 CES2 1419/4885CES1 1075/4885IDO1 3306/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CES2 1419/4885CES1 1075/4885IDO1 3306/4885

“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.