SCHEMBL5732584

SCHEMBL5732584

CC(CN1CCC[C@H]1C(=O)OCC(=O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FKBP1A P62942 6/20 0.42
MMEL1 Q495T6 1/20 0.42
LTA4H P09960 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
PREP P48147 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
SCHEMBL5732641 0.84 ACE (0.47) CYP1A2PREP
SCHEMBL5732581 0.82 FKBP1A (0.49) FKBP1APREP
SCHEMBL21340465 0.79 FKBP1A (0.55) POLBMEN1KMT2AFKBP1AMMEL1
SCHEMBL5733042 0.78 FKBP1A (0.54) POLBMEN1KMT2AFKBP1AMMEL1
SCHEMBL9436236 0.78 FKBP1A (0.54) POLBMEN1KMT2AFKBP1AMMEL1
SCHEMBL18815613 0.76 KLK7 (0.58) KMT2AFKBP1APREP
SCHEMBL18815610 0.76 KLK7 (0.58) KMT2AFKBP1APREP
SCHEMBL18845568 0.75 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL21340466 0.74 FKBP1A (0.53) POLBMEN1KMT2AFKBP1AMMEL1
SCHEMBL10182552 0.73 HPGD (0.52) MEN1KMT2AALDH1A1CYP1A2CYP2C9

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 7 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

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 POLB 203/4885MEN1 35/4885KMT2A 1281/4885
US-20020037835-A1 Semi-synthetic studies toward didemnin analogues FAR1, FASN, GOT1 POLB 203/4885MEN1 35/4885KMT2A 1281/4885

“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.