SCHEMBL6483244

SCHEMBL6483244

[CH2]CCC(=O)N1CCN(C(C)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
CYP1A2 P05177 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PIK3CD O00329 1/20 0.44
ATM Q13315 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
EPHX2 P34913 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GNAI3 P08754 1/20 0.38

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
SCHEMBL1711871 0.83 TDP1 (0.48) TDP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL196592 0.82 TDP1 (0.52) TDP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL12457130 0.80 TDP1 (0.50) TDP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL6808481 0.79
SCHEMBL3876392 0.79 ATM (0.65) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL771426 0.79 HSD11B1 (0.56) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3920258 0.78 TDP1 (0.48) TDP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL6499575 0.78 TDP1 (0.48) TDP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL5858550 0.78 TDP1 (0.48) TDP1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL3969156 0.77 ATM (0.62) TDP1MEN1KMT2AALDH1A1KDM4E

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
US-20050277627-A1 Colchinol derivatives as vascular damaging agents ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2005-12-15 US disclosed
EP-1301497-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS Angiogene Pharmaceuticals Limited (GB) 2003-04-16 EP disclosed
WO-2002004434-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2002-01-17 WO disclosed
EP-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 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-20050277627-A1 Colchinol derivatives as vascular damaging agents TOP1, TDP1, TOP2B TDP1 2/4885CYP1A2 566/4885MEN1 1207/4885

“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.