SCHEMBL15033481

SCHEMBL15033481

COC(=O)/C=C1/C(=O)Nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 2/20 0.69
TGM2 P21980 2/20 0.69
LMNA P02545 1/20 0.69
IDO1 P14902 1/20 0.69
NPSR1 Q6W5P4 2/20 0.69
KDM4E B2RXH2 1/20 0.69
PKM P14618 1/20 0.69
MAPK1 P28482 1/20 0.69
NTSR1 P30989 1/20 0.56
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSP90AA1 P07900 1/20 0.55

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
SCHEMBL28985650 1.00 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL14524539 0.84 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL249817 0.84 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL249816 0.84 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL15991939 0.82 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL14653700 0.82 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL9926479 0.82 TGM2 (1.00) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL30005115 0.82 TGM2 (1.00) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL3245039 0.80 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2HTTTGM2
SCHEMBL30952119 0.80 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2HTTTGM2

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-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-06-20 US disclosed
US-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2013-06-20 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-20130156795-A1 METHODS FOR INHIBITION OF CELL PROLIFERATION, SYNERGISTIC TRANSCRIPTION MODULES AND USES THEREOF MKI67, DCX, CTCF ALDH1A1 4068/4885MAPT 4158/4885SMN1; SMN2 1942/4885

“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.