SCHEMBL5386322

SCHEMBL5386322

CCCCCCCCNC(=O)Nc1ccc(OCCCCCOc2ccc(NC(=O)NCCCCCCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.67
ALDH1A1 P00352 1/20 0.67
HTT P42858 1/20 0.67
FAAH O00519 12/20 0.60
KMT2A Q03164 1/20 0.60
EPHX2 P34913 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59

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
SCHEMBL14593657 1.00 EPHX1 (0.67) EPHX1ALDH1A1HTTFAAHKMT2A
SCHEMBL14593705 1.00 EPHX1 (0.67) EPHX1ALDH1A1HTTFAAHKMT2A
SCHEMBL14593707 0.97 EPHX1 (0.67) EPHX1ALDH1A1HTTFAAHKMT2A
SCHEMBL14593753 0.92 EPHX1 (0.58) EPHX1ALDH1A1HTTFAAHKMT2A
SCHEMBL14593725 0.91 EPHX1 (0.67) EPHX1ALDH1A1HTTKMT2AEPHX2
SCHEMBL14593665 0.91 KMT2A (0.70) EPHX1ALDH1A1HTTKMT2AEPHX2
SCHEMBL6689381 0.91 FAAH (0.56) EPHX1ALDH1A1HTTFAAH
SCHEMBL6697390 0.89 CA12 (0.56) EPHX1ALDH1A1HTTFAAH
SCHEMBL7214953 0.88 S1PR1 (0.57) EPHX1ALDH1A1HTTFAAH
SCHEMBL11033138 0.88 EPHX1 (0.84) EPHX1ALDH1A1HTTEPHX2HDAC1

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
US-7157601-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2007-01-02 US disclosed
US-7157601-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2007-01-02 US disclosed
US-20060178531-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2006-08-10 US disclosed
US-7087752-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2006-08-08 US disclosed
US-6860928-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2005-03-01 US disclosed
US-20040249210-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2004-12-09 US disclosed
US-20040075723-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2004-04-22 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 (3 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-20060178531-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR1H3, SIGMAR1, NCOR1 EPHX1 3947/4885ALDH1A1 2509/4885HTT 2048/4885
US-20040249210-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR0B1, RCOR1 EPHX1 4300/4885ALDH1A1 2145/4885HTT 1168/4885
US-20040075723-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR1I3, CCNY EPHX1 4409/4885ALDH1A1 3012/4885HTT 2624/4885

“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.