SCHEMBL12835232

SCHEMBL12835232

CC1CCC(C(=O)Nc2cccc(CO)c2)C(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
PARP1 P09874 2/20 0.49
GRK2 P25098 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PARP10 Q53GL7 1/20 0.49
APEX1 P27695 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL12172899 0.90 SMN1; SMN2 (0.60) TDP1PARP1GRK2CASP6CASP8
SCHEMBL2628757 0.85 TRPM8 (0.58) PARP1SMN1; SMN2PDK1PDK2PDK3
SCHEMBL12835231 0.85 HTT (0.51) TDP1L3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL12172851 0.84 NPSR1 (0.57) TDP1PARP1GRK2CASP6CASP8
SCHEMBL12835475 0.82 ALDH1A1 (0.64) TDP1PARP1GRK2CASP6CASP8
SCHEMBL12835481 0.80 KMT2A (0.49) TDP1PARP1GRK2CASP6CASP8
SCHEMBL12190079 0.80 RXFP1 (0.53) TDP1PARP1GRK2CASP6CASP8
SCHEMBL12172885 0.79 TRPM8 (0.48) TDP1PARP1GRK2CASP6CASP8
SCHEMBL12172870 0.77 GAA (0.73) SMN1; SMN2ALDH1A1HTTKDM4EGAA
SCHEMBL12172894 0.77 ALDH1A1 (0.65) TDP1L3MBTL1SMN1; SMN2ALDH1A1HTT

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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 TDP1 2961/4885PARP1 1003/4885GRK2 4536/4885

“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.