SCHEMBL5865875

SCHEMBL5865875

O=[N+]([O-])c1ccc(-c2ccccc2C(O)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR7 P34969 1/20 0.41
MAOB P27338 1/20 0.41
PTPRC P08575 2/20 0.40
CES1 P23141 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
S100A4 P26447 1/20 0.40
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SCN2A Q99250 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL307822 0.79 ALDH1A1 (0.40) MAPK1ALDH1A1
SCHEMBL7772167 0.77 ALDH1A1 (0.39) MAPK1ALDH1A1
SCHEMBL10981417 0.76 HTT (0.47) POLBMAPK1ALDH1A1HTR7MAOB
SCHEMBL6723797 0.74 CYP1A2 (0.50) ALDH1A1PTPRCS100A4TDP1
SCHEMBL1814058 0.74 ALDH1A1 (0.64) MAPK1AKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL5865874 0.73 ALDH1A1 (0.56) POLBMAPK1ALDH1A1KDM4EMAOB
SCHEMBL27915252 0.73 AKR1C3 (0.52) POLBMAPK1AKR1C3AKR1C2ALDH1A1
SCHEMBL612842 0.73 ALDH1A1 (0.40) MAPK1ALDH1A1LMNAMAPTRAB9A
SCHEMBL28240316 0.73 ALDH1A1 (0.58) POLBMAPK1ALDH1A1HTR7MAOB
SCHEMBL11996653 0.72 TSHR (0.42) AKR1C3AKR1C2ALDH1A1HTR7MAOB

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 POLB 1463/4885MAPK1 3505/4885AKR1C3 1893/4885

“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.