SCHEMBL4564296

SCHEMBL4564296

O=C(O)c1ccccc1C(F)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
ALOX15 P16050 1/20 0.52
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CA12 O43570 1/20 0.45
HMGB1 P09429 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA9 Q16790 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL465752 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL6756199 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL30281127 0.83 ALDH1A1 (0.56) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL1349621 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL16322570 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL900830 0.78 ALDH1A1 (0.68) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL11602789 0.78 ALDH1A1 (0.62) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL19458984 0.77 CNR2 (0.50) ALDH1A1ALOX15GAAKMT2AMAPT
SCHEMBL27805803 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15GAAKMT2ATDP1
SCHEMBL8156295 0.76 ALDH1A1 (0.48) ALDH1A1ALOX15GAAKMT2ATDP1

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-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO 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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 ALDH1A1 826/4885ALOX15 978/4885GAA 1374/4885

“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.