SCHEMBL15214019

SCHEMBL15214019

CC(=O)c1cc(O)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.43
GPR35 Q9HC97 5/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
RECQL P46063 2/20 0.42
PMP22 Q01453 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL11802771 0.86 MAPT (0.46) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL4776517 0.85 SNCA (0.50) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL29538041 0.85 SNCA (0.50) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL15203579 0.84 DTYMK (0.47) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL11922558 0.82 TDP1 (0.45) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL15797124 0.79 TTR (0.43) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL31439542 0.79 TTR (0.43) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL3958015 0.79 TTR (0.43) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL30957303 0.79 MAPT (0.43) TTRGPR35MAPTALDH1A1TDP1
SCHEMBL30076336 0.79 TTR (0.43) TTRGPR35MAPTALDH1A1TDP1

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-20130310597-A1 PROCESS FOR PREPARATION OF SUBSTITUTED P-AMINOPHENOL BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-21 US disclosed
US-8519176-B1 Process for preparation of substituted P-aminophenol BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-27 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 (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-20130310597-A1 PROCESS FOR PREPARATION OF SUBSTITUTED P-AMINOPHENOL NPEPPS, AASDHPPT, ALPP TTR 813/4885GPR35 3440/4885MAPT 3208/4885

“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.