SCHEMBL3368672

SCHEMBL3368672

CCCCCCCOC(=O)Nc1nc(NC(=O)OCCCCCCC)nc(NC(=O)OCCCCCCC)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
ACHE P22303 12/20 0.53
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.49
NAAA Q02083 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CSNK2A2 P19784 1/20 0.47
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL3369754 0.95 EPHX1 (0.54) EPHX1ACHEALDH1A1RAB9ANAAA
SCHEMBL3368234 0.95 EPHX1 (0.54) EPHX1ACHEALDH1A1RAB9ANAAA
SCHEMBL994563 0.93 RAB9A (0.55) EPHX1ALDH1A1RAB9AL3MBTL1
SCHEMBL7158889 0.92 EPHX1 (0.50) EPHX1ACHEALDH1A1RAB9AL3MBTL1
SCHEMBL2903601 0.88 RAB9A (0.51) ALDH1A1RAB9AL3MBTL1
SCHEMBL6675218 0.88 TSHR (0.56) ALDH1A1RAB9AL3MBTL1
SCHEMBL2906397 0.88 RAB9A (0.51) ALDH1A1RAB9AL3MBTL1
SCHEMBL6578691 0.86 TSHR (0.51) ALDH1A1RAB9AL3MBTL1
SCHEMBL3365548 0.85 SMN1; SMN2 (0.49) ALDH1A1RAB9AL3MBTL1CSNK2A2CSNK2A1
SCHEMBL2907201 0.85 RAB9A (0.49) ALDH1A1RAB9AL3MBTL1

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-1440065-B1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF SE (DE) 2010-10-06 EP disclosed
US-7371856-B2 Preparation of alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2008-05-13 US disclosed
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7169923-B2 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 US disclosed
EP-1440065-A1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2004-07-28 EP disclosed
WO-2003035628-A1 METHOD FOR PREPARING ALKOXYCARBONYLAMINO-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2003-05-01 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-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines ADH1C, PNMT, TET2 EPHX1 3447/4885ACHE 2525/4885ALDH1A1 1418/4885
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines ADH1C, TET2, PNMT EPHX1 3541/4885ACHE 2886/4885ALDH1A1 1513/4885

“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.