SCHEMBL3216220

SCHEMBL3216220

NC(=O)COCC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
KMT2A Q03164 1/20 0.50
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
TRPA1 O75762 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL864716 0.89 MAPT (0.61) L3MBTL1KDM4EALDH1A1TDP1MAPT
SCHEMBL3194897 0.83 TDP1 (0.54) L3MBTL1KDM4EALDH1A1GAATDP1
Biphenyl SCHEMBL9787041 0.83 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1TDP1MAPT
Hydroquinone SCHEMBL9786967 0.82 CES2 (0.54) L3MBTL1KDM4EALDH1A1GAATDP1
SCHEMBL2387899 0.82 MAPT (0.52) L3MBTL1KDM4EALDH1A1TDP1MAPT
Phenol SCHEMBL11815882 0.82 TDP1 (0.52) L3MBTL1KDM4EALDH1A1TDP1MAPT
Catechol SCHEMBL9787047 0.82 ESR1 (0.57) L3MBTL1KDM4EALDH1A1TDP1MAPT
SCHEMBL3136962 0.79 TDP1 (0.54) L3MBTL1KDM4EALDH1A1TDP1MAPT
SCHEMBL2126591 0.78 LMNA (0.56) L3MBTL1KDM4EALDH1A1TDP1MAPT
SCHEMBL5854020 0.78 MAPT (0.52) L3MBTL1KDM4EALDH1A1TDP1MAPT

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-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B L3MBTL1 3143/4885KDM4E 938/4885ALDH1A1 2961/4885

“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.