SCHEMBL10049644

SCHEMBL10049644

CC/C(C)=C\c1ccc(N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.54
PTGS2 P35354 3/20 0.54
NQO2 P16083 1/20 0.54
ALDH1A1 P00352 5/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.51
JAK2 O60674 1/20 0.51
MITF O75030 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NTSR1 P30989 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL11842024 0.79 ALDH1A1 (0.59) PTGS1PTGS2NQO2ALDH1A1MAPT
SCHEMBL21758555 0.78 PTGS1 (0.49) PTGS1PTGS2NQO2ALDH1A1MAPT
SCHEMBL6247478 0.77 CYP2A6 (0.41) PTGS1PTGS2MAPTCYP3A4CYP2C9
SCHEMBL1758882 0.77 CYP2A6 (0.41) PTGS1PTGS2MAPTCYP3A4CYP2C9
SCHEMBL28660052 0.77 ESR1 (0.59) PTGS1PTGS2NQO2ALDH1A1MAPT
SCHEMBL1758883 0.77 CYP2A6 (0.41) PTGS1PTGS2MAPTCYP3A4CYP2C9
SCHEMBL14001486 0.75 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL18483455 0.75 CYP19A1 (0.41) ALDH1A1MAPTKMT2AMEN1CYP3A4
SCHEMBL6770445 0.75 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL14419183 0.75 TRPA1 (0.58) PTGS2MAPTKMT2AMEN1LMNA

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-8153615-B2 Synthesis of glycerolipid carbamates and dicarbamates and their use as an antitumor compounds THE UNIVERSITY OF MANITOBA (CA) 2012-04-10 US disclosed
US-20090042811-A1 Synthesis of Glycerolipid Carbamates and Dicarbamates and Their Use as an Antitumor Compounds THE UNIVERSITY OF MANITOBA (CA) 2009-02-12 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-20090042811-A1 Synthesis of Glycerolipid Carbamates and Dicarbamates and Their Use as an Antitumor Compounds PHOSPHO1, SGMS1, UGCG PTGS1 1559/4885PTGS2 2401/4885NQO2 789/4885

“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.