SCHEMBL14252129

SCHEMBL14252129

COC(=O)NCCCCCCCCNC(=O)OC

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 5/20 0.82
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.52
▸ ACHE P22303 7/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL717081 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788927 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788569 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7788937 1.00 EPHX1 (0.82) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL7252127 0.97 EPHX1 (0.77) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL23735485 0.93 EPHX1 (0.72) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL14433357 0.92 EPHX1 (0.70) EPHX1KDM4EMAPK1HIF1ATDP1
SCHEMBL13387440 0.91 EPHX1 (1.00) EPHX1ACHE
SCHEMBL13387508 0.91 EPHX1 (1.00) EPHX1ACHE
SCHEMBL22693961 0.91 EPHX1 (1.00) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927763-B2 Method for preparing aliphatic diisocyanate UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2015-01-06 — — US claimed
US-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2014-10-09 — — US claimed
CN-103687847-B The manufacturing method of isocyanate compound 宇部兴产株式会社 2019-04-02 — — CN disclosed
US-8927763-B2 Method for preparing aliphatic diisocyanate UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2015-01-06 — — US disclosed
US-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2014-10-09 — — US disclosed
US-7341815-B2 Recording can be effected at a high sensitivity and in which scattering of the recording layer due to ablation is suppressed FUJIFILM CORPORATION (JP) 2008-03-11 — — 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-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE ALKBH3, DDC, ALKBH5 EPHX1 3411/4885KDM4E 104/4885MAPK1 4108/4885

“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.

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