SCHEMBL4449957

SCHEMBL4449957

CCOC(=O)CCCCCCC1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
ALOX15 P16050 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
USP2 O75604 1/20 0.60
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.49
KDM5A P29375 1/20 0.46
KDM7A Q6ZMT4 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DGKA P23743 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45
EPHX2 P34913 3/20 0.44
NAAA Q02083 2/20 0.42
PAM P19021 2/20 0.42
KMT2A Q03164 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
SCHEMBL11848082 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL16670930 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL11850612 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL16059433 0.91 USP2 (0.56) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL16060975 0.91 USP2 (0.56) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL28992177 0.89 USP2 (0.54) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL11021041 0.89 USP2 (0.54) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL7424483 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1USP2CYP1A2
Hydrochloric Acid SCHEMBL9260562 0.89 CYP1A2 (0.56) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL7293121 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931327-B1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-08-17 EP disclosed
US-8541362-B2 Cyclopropyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-09-24 US disclosed
US-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-03 US disclosed
EP-1931327-A2 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2008-06-18 EP disclosed
WO-2007022532-A2 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-02-22 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 (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-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS PAICS, ABCB4, ABCB11 ALDH1A1 2599/4885ALOX15 956/4885TDP1 2779/4885

“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.