SCHEMBL5865874

SCHEMBL5865874

O=[N+]([O-])c1ccccc1-c1ccc(C(O)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
APP P05067 2/20 0.46
ADAMTS4 O75173 1/20 0.43
PTPN1 P18031 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
NR1I2 O75469 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT6 P42226 1/20 0.37
HIF1A Q16665 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14494913 0.80 ALDH1A1 (0.61) ALDH1A1TDP1APPADAMTS4PTPN1
SCHEMBL11842494 0.78 ALDH1A1 (0.62) ALDH1A1TDP1ADAMTS4PTPN1PTPRC
SCHEMBL13291829 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4PTPN1PTPRC
SCHEMBL2965327 0.76 ALDH1A1 (0.65) ALDH1A1TDP1ADAMTS4CYP3A4HIF1A
SCHEMBL11757234 0.75 ALDH1A1 (0.54) ALDH1A1TDP1ADAMTS4PTPN1CYP1A2
SCHEMBL7785924 0.74 ALDH1A1 (0.67) ALDH1A1TDP1ADAMTS4PTPN1PTPRC
SCHEMBL6723797 0.74 CYP1A2 (0.50) ALDH1A1TDP1APPPTPRCS100A4
SCHEMBL3555427 0.74 ALDH1A1 (0.71) ALDH1A1TDP1ADAMTS4PTPN1PTPRC
SCHEMBL1814058 0.74 ALDH1A1 (0.64) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL2331432 0.74 TDP1 (0.71) ALDH1A1TDP1ADAMTS4PTPN1PTPRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087789-B2 Methods for nucleophilic fluoromethylation UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-08-08 US claimed
US-20040230079-A1 Methods for nucleophilic fluoromethylation SOUTHERN CALIFORNIA, UNIVERSITY OF 2004-11-18 US claimed
WO-2004063129-A2 METHODS FOR NUCLEOPHILIC FLUOROMETHYLATION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-07-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040230079-A1 Methods for nucleophilic fluoromethylation PHF2, HAO2, GSTM2 ALDH1A1 1240/4885TDP1 3687/4885APP 4673/4885

“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.