SCHEMBL7790384

SCHEMBL7790384

COC(=O)NC1CCCC(NC(=O)OC)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
EPHX1 P07099 8/20 0.45
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL423315 0.91
Hydrochloric Acid SCHEMBL4972944 0.88 EPHX1 (0.52) BTKEPHX1NPSR1NPC1RAB9A
SCHEMBL10007376 0.86 BTK (0.45) BTKEPHX1NPSR1ALDH1A1EPHX2
SCHEMBL868764 0.86 EPHX1 (0.59) EPHX1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL25699426 0.84 BTK (0.41) BTKEPHX1NPSR1KDM4EGRM5
SCHEMBL1067515 0.84 EPHX1 (0.63) EPHX1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL17169490 0.84 EPHX1 (0.63) EPHX1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL15700754 0.84 EPHX1 (0.63) EPHX1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL8393998 0.84 EPHX1 (0.63) EPHX1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL19426065 0.84 EPHX1 (0.63) EPHX1NPSR1NPC1RAB9ASMN1; SMN2

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 19 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
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
EP-0795544-B1 Process for the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
EP-0795543-B1 Use of high boiling solvents or solvent mixtures as heat exchange medium in the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
US-5883291-A Heat exchange media for the thermal cracking of carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
US-5731458-A Process for thermally cracking carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
EP-0795544-A1 Process for the thermal decomposition of carbamic esters BAYER AG (DE) 1997-09-17 EP disclosed
EP-0795543-A1 Use of high boiling solvents or solvent mixtures as heat exchange medium in the thermal decomposition of carbamic esters BAYER AG (DE) 1997-09-17 EP disclosed
EP-0542106-B1 Process for the preparation of polyisocyanates BAYER AG (DE) 1995-12-27 EP disclosed
EP-0396977-B1 Process for the preparation of polyisocyanates BAYER AG (DE) 1994-06-15 EP disclosed
US-5284969-A Thermal decomposition of the corresponding carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
EP-0542106-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1993-05-19 EP disclosed
US-5138015-A Reacting dialkyl carbonate with diamine to give urethane, thermally decomposing into diisocyanate, coverting into polyurethane in presence of Lewis acid and/or protonic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-11 US disclosed
EP-0477376-A1 PROCESS FOR PRODUCING POLYURETHANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-01 EP disclosed
US-5043471-A Process for the preparation of polyisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0396977-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1990-11-14 EP disclosed
EP-0396976-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1990-11-14 EP 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 BTK 2891/4885EPHX1 3411/4885NPSR1 4035/4885

“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.