SCHEMBL5734079

SCHEMBL5734079

O=C(COC(=O)C1CCCN1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ELANE P08246 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
MIF P14174 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TSHR P16473 2/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL7432130 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL5732981 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL7440042 0.99 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL7432117 0.99 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL26370885 0.96 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL10145104 0.92 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL15692785 0.86 MAPT (0.47) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL16577350 0.86 NPC1 (0.47) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL18871030 0.86 MAPT (0.47) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL18213981 0.83 GSK3B (0.43) ALDH1A1KMT2AMEN1CYP1A2CYP2C9

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973518-B1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES UNIV ILLINOIS (US) 2006-03-29 EP disclosed
US-6841530-B2 Semi-synthetic studies toward didemnin analogues THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-01-11 US disclosed
EP-0973518-A4 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES UNIV ILLINOIS (US) 2004-05-26 EP disclosed
US-20020037835-A1 Semi-synthetic studies toward didemnin analogues BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2002-03-28 US disclosed
US-20010007855-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2001-07-12 US disclosed
EP-0973518-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-01-26 EP disclosed
WO-1998017275-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1998-04-30 WO disclosed
EP-0367514-A2 Human leukocyte elastase inhibitors and methods for producing and using same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-05-09 EP disclosed
WO-1990004409-A1 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-05-03 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 (2 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-20010007855-A1 SEMI-SYNTHETIC STUDIES TOWARD DIDEMNIN ANALOGUES FAR1, FASN, GOT1 ALDH1A1 1287/4885KMT2A 1281/4885MEN1 35/4885
US-20020037835-A1 Semi-synthetic studies toward didemnin analogues FAR1, FASN, GOT1 ALDH1A1 1287/4885KMT2A 1281/4885MEN1 35/4885

“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.