SCHEMBL1111487

SCHEMBL1111487

CCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCC)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX1 P07099 3/20 0.51
KMT2A Q03164 2/20 0.44
NAAA Q02083 2/20 0.43
ACHE P22303 6/20 0.41

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
SCHEMBL29354750 0.97 GAA (0.57) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL10995376 0.94 GAA (0.60) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL13387564 0.92 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL4719490 0.92 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL18124429 0.90 EPHX1 (0.46) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL27998887 0.89 GAA (0.51) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL14269207 0.88 GAA (0.43) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL12240761 0.88 TSHR (0.49) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL30849249 0.88 GAA (0.50) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL16526220 0.86 GAA (0.66) GAAMAPK1HTTSMN1; SMN2EPHX1

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 47 patents — showing the first 20. 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-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
EP-2626345-B1 SEPARATION METHOD AND METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2019-01-16 EP disclosed
US-20180105489-A1 Separation Method and Method for Producing Isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed
US-9884810-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2018-02-06 US disclosed
EP-2091911-B1 PROCESS FOR THE CONTINUOUS PREPARATION OF (CYCLO)ALIPHATIC DIISOCYANATES EVONIK DEGUSSA GMBH (DE) 2015-04-29 EP disclosed
US-9000219-B2 Method for treatment of isocyanate residue, and method for treatment of carbonate MITSUI CHEMICALS, INC. (JP) 2015-04-07 US 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-8816125-B2 Process for the continuous preparation of (cyclo)aliphatic diisocyanates EVONIK DEGUSSA GMBH (DE) 2014-08-26 US disclosed
US-20050267310-A1 Phosgene-free; reacting a cycloaliphatic diamine with a carbonic acid derivative and an alcohol to produce a cycloaliphatic diurethane, distillation, thermally cleaving the cycloaliphatic diurethane to produce a cycloaliphatic diisocyanate, recycling reurethanization product directly into the low-boiler DEGUSSA AG (DE) 2005-12-01 US disclosed
US-20050250960-A1 Phosgene-free; reacting a cycloaliphatic diamine with a carbonic acid derivative and an alcohol to produce a cycloaliphatic diurethane, distillation, thermally cleaving the cycloaliphatic diurethane to produce a cycloaliphatic diisocyanate, recycling reurethanization product directly into the low-boiler DEGUSSA AG (DE) 2005-11-10 US disclosed
EP-1593669-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-11-09 EP disclosed
EP-1512681-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-03-09 EP disclosed
EP-1512680-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-03-09 EP disclosed
EP-1512682-A1 Multi-step process for the continuous preparation of cycloaliphatic diisocyanates Degussa AG (DE) 2005-03-09 EP disclosed
US-20050043561-A1 Multistage continuous preparation of cycloaliphatic diisocyanates DEGUSSA AG (DE) 2005-02-24 US disclosed
US-20050043563-A1 Multistage continuous preparation of cycloaliphatic diisocyanates DEGUSSA AG (DE) 2005-02-24 US disclosed
US-20050043562-A1 Multistage continuous preparation of cycloaliphatic diisocyanates DEGUSSA AG (DE) 2005-02-24 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-20140303399-A1 METHOD FOR PREPARING ALIPHATIC DIISOCYANATE ALKBH3, DDC, ALKBH5 GAA 3765/4885MAPK1 4108/4885HTT 612/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 GAA 2293/4885MAPK1 1889/4885HTT 2386/4885
US-20180105489-A1 Separation Method and Method for Producing Isocyanate IDH3A, IDH3B, CA9 GAA 2293/4885MAPK1 1889/4885HTT 2386/4885

“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.