SCHEMBL4646333

SCHEMBL4646333

CCCCC(=O)OCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
PAM P19021 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL30861849 0.92 DGKA (0.62) DGKAPAML3MBTL1ZDHHC20ZDHHC2
SCHEMBL16907300 0.87
SCHEMBL11079375 0.86 DGKA (0.50) DGKAPAML3MBTL1ZDHHC20ZDHHC2
SCHEMBL14063623 0.85 DGKA (0.45) DGKAPAML3MBTL1ZDHHC20ZDHHC2
SCHEMBL9360783 0.82 ADRA2A (0.37) DGKAZDHHC20ZDHHC2TSHRMAPT
SCHEMBL5255351 0.81 DGKA (0.52) DGKAPAML3MBTL1TSHRMAPT
SCHEMBL10009941 0.80 DGKA (0.57) DGKAPAMTSHRMAPTLMNA
SCHEMBL5805525 0.79 L3MBTL1 (0.64) DGKAPAML3MBTL1ZDHHC20TSHR
SCHEMBL6830198 0.79 GSTP1 (0.38) DGKAPAML3MBTL1ZDHHC20ZDHHC2
SCHEMBL10011617 0.79 GSTP1 (0.38) DGKAPAMTSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814621-B2 Expanding the chemical substrates for genetic code reprogramming NORTHWESTERN UNIVERSITY (US) 2023-11-14 US disclosed
US-11814621-B2 Expanding the chemical substrates for genetic code reprogramming NORTHWESTERN UNIVERSITY (US) 2023-11-14 US disclosed
US-11814621-B2 Expanding the chemical substrates for genetic code reprogramming NORTHWESTERN UNIVERSITY (US) 2023-11-14 US disclosed
US-20230295613-A1 LONG CHAIN CARBON AND CYCLIC AMINO ACIDS SUBSTRATES FOR GENETIC CODE REPROGRAMMING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2023-09-21 US disclosed
US-20230295613-A1 LONG CHAIN CARBON AND CYCLIC AMINO ACIDS SUBSTRATES FOR GENETIC CODE REPROGRAMMING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2023-09-21 US disclosed
CN-115867648-A Extension of chemical substrates for genetic code reprogramming to include long chain carbons and cyclic amino acids 西北大学 2023-03-28 CN disclosed
EP-4103734-A2 LONG CHAIN CARBON AND CYCLIC AMINO ACIDS SUBSTRATES FOR GENETIC CODE REPROGRAMMING Northwestern University (US) 2022-12-21 EP disclosed
US-20210230586-A1 Expanding the Chemical Substrates for Genetic Code Reprogramming BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2021-07-29 US disclosed
EP-1263713-B2 PROCESS FOR THE CARBONYLATION OF PENTENENITRILE SHELL INT RESEARCH (NL) 2008-08-20 EP disclosed
US-7026473-B2 Process for the carbonylation of pentenenitrile SHELL OIL COMPANY (US) 2006-04-11 US disclosed
US-20040230071-A1 Process for the carbonylation of pentenenitrile DRENT EIT (NL) 2004-11-18 US disclosed
US-6743911-B2 PENTENENITRILE REACTED WITH CARBON MONOXIDE AND WATER OR ALCOHOL IN THE PRESENCE OF A SOURCE OF GROUP VIII METAL AND A BIDENTATE PHOSPHINE, ARSINE AND/OR STIBINE LIGAND TO FORM CYANOVALERIC ACID OR ESTER SHELL OIL COMPANY 2004-06-01 US disclosed
EP-1263713-A2 PROCESS FOR THE CARBONYLATION OF PENTENENITRILE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2002-12-11 EP disclosed
US-20020045748-A1 Process for the carbonylation of pentenenitrile SHELL OIL COMPANY 2002-04-18 US disclosed
WO-2001072697-A2 PROCESS FOR THE CARBONYLATION OF PENTENENITRILE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-10-04 WO 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 (2 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-20040230071-A1 Process for the carbonylation of pentenenitrile RPS6KA1, RPS6KB1, RPS6KA6 DGKA 2282/4885PAM 1868/4885L3MBTL1 2873/4885
US-20020045748-A1 Process for the carbonylation of pentenenitrile PRKCE, PRKCB, PRKCH DGKA 1006/4885PAM 937/4885L3MBTL1 4371/4885

“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.