SCHEMBL8464579

SCHEMBL8464579

COC(=O)NC1CCC(NC(=O)OC)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 8/20 0.46
▸ EPHX2 P34913 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ POLB P06746 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
SCHEMBL2050427 1.00 — —
SCHEMBL23735487 0.93 EPHX2 (0.56) EPHX1EPHX2MAPTNPC1RAB9A
SCHEMBL28580041 0.91 EPHX1 (0.41) EPHX1EPHX2NPSR1MMP2MMP8
SCHEMBL13698908 0.91 EPHX1 (0.55) EPHX1MMP2MMP8NPC1RAB9A
SCHEMBL17407561 0.91 EPHX2 (0.60) EPHX1EPHX2NPSR1MMP2MMP8
SCHEMBL12385850 0.91 EPHX1 (0.55) EPHX1MMP2MMP8NPC1RAB9A
SCHEMBL18814222 0.91 ATM (0.45) EPHX1EPHX2NPSR1MMP2MMP8
SCHEMBL5949945 0.91 EPHX1 (0.55) EPHX1MMP2MMP8NPC1RAB9A
SCHEMBL22311485 0.91 EPHX2 (0.60) EPHX1EPHX2NPSR1MMP2MMP8
SCHEMBL12513461 0.91 ATM (0.45) EPHX1EPHX2NPSR1MMP2MMP8

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 10 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
US-5914428-A REACTING DIMETHYL CARBONATE WITH AN ALIPHATIC DIAMINE IN PRESENCE OF AN ALKALI METAL OR COMPOUND AS CARBAMYLATION CATALYST TO FORM CARBAMATE, THERMALLY DECOMPOSING THE PRODUCT IN HIGH BOILING SOLVENT TO PRODUCE ALIPHATIC DIISOCYANATE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-22 — — US disclosed
US-5789614-A Process for preparation of aliphatic diisocyanate compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-04 — — US disclosed
US-5773643-A Process for preparation of isocyanate compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-30 — — US disclosed
EP-0323514-B1 PROCESS FOR PREPARING ISOCYANATE COMPOUNDS DAICEL CHEM (JP) 1994-07-13 — — EP disclosed
EP-0477376-A1 PROCESS FOR PRODUCING POLYURETHANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-01 — — EP disclosed
EP-0323514-A1 PROCESS FOR PREPARING ISOCYANATE COMPOUNDS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-12 — — 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 EPHX1 3411/4885EPHX2 1207/4885NPSR1 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.

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