SCHEMBL9079735

SCHEMBL9079735

CCOC(=O)C(C)/N=C/c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
MIF P14174 3/20 0.43
PPARG P37231 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MITF O75030 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL29033185 1.00 MAPT (0.44) MAPTGAAMIFPPARGALDH1A1
SCHEMBL13664199 1.00 MAPT (0.44) MAPTGAAMIFPPARGALDH1A1
SCHEMBL9079738 1.00 MAPT (0.44) MAPTGAAMIFPPARGALDH1A1
SCHEMBL22854418 0.88 NOS3 (0.41) MAPTGAAMIFALDH1A1MEN1
SCHEMBL29033269 0.88 MIF (0.46) MAPTMIFPPARGALDH1A1LMNA
SCHEMBL29176952 0.88 MIF (0.46) MAPTMIFPPARGALDH1A1LMNA
SCHEMBL29033272 0.85 CYP1A2 (0.57) MAPTGAAMIFLMNATDP1
SCHEMBL7420415 0.84 NOS2 (0.49) MAPTMIFALDH1A1LMNAMEN1
SCHEMBL7420416 0.84 NOS2 (0.49) MAPTMIFALDH1A1LMNAMEN1
SCHEMBL6992245 0.84 NOS2 (0.49) MAPTMIFALDH1A1LMNAMEN1

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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 US disclosed
US-5554753-A Catalytic enantioselective synthesis of α-amino acid derivatives by phase-transfer catalysis INDIANA UNIVERSITY FOUNDATION (US) 1996-09-10 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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT MAPT 1248/4885GAA 3528/4885MIF 1923/4885

“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.