SCHEMBL2059656

SCHEMBL2059656

C=CC(=O)NCCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TSHR P16473 4/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.38
TGM2 P21980 7/20 0.36
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
PAOX Q6QHF9 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12849274 0.87 ZDHHC20 (0.60) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL296003 0.85 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL13636033 0.84 ZDHHC20 (0.67) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL6863950 0.81 ZDHHC20 (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL10952688 0.80 TSHR (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL167051 0.80 TSHR (0.68) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Urea SCHEMBL29002144 0.79 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL2612178 0.79 ZDHHC20 (0.55) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL22675564 0.79 TSHR (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL35714 0.79 TSHR (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840136-B1 Polymer dispersions, method for their manufacture and their application CELANESE EMULSIONS GMBH (DE) 2010-08-11 EP claimed
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. 2022-05-05 US disclosed
WO-2020219287-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. (US) 2020-10-29 WO disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
EP-3263209-A1 MEMBRANES COMPRISING POLYMERIC PARTICLE LAYERS BASF SE (DE) 2018-01-03 EP disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
EP-0134490-B1 SELF-CROSS-LINKABLE COATING, IMPREGNATION AND ADHESIVE AGENT BASF Aktiengesellschaft (DE) 1988-01-20 EP disclosed
EP-0226129-A2 Silver halide photographic element, photographic coating composition and process to prepare an aqueous dispersion of a hydrophobic compound MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-06-24 EP disclosed
EP-0219047-A2 Curable polymer compositions storage-stable in an aqueous solution or dispersion, their preparation and use BASF Aktiengesellschaft (DE) 1987-04-22 EP disclosed
US-4637467-A INJECTION OF N-3-OXOHYDROCARBON-SUBSTITUTED ACRYLAMIDES PHILLIPS PETROLEUM COMPANY (US) 1987-01-20 US disclosed
US-4332873-A Multilayer printing plates and process for making same HERCULES INCORPORATED (US) 1982-06-01 US disclosed
US-4266007-A Multilayer printing plates and process for making same HERCULES INCORPORATED (US) 1981-05-05 US disclosed
US-4217038-A TERMINATED WITH POLYMERIZED ACTIVATED UNSATURATED GROUP BAUSCH & LOMB INCORPORATED (US) 1980-08-12 US disclosed
US-4198238-A Photopolymerizable composition HERCULES INCORPORATED (US) 1980-04-15 US disclosed
US-4168173-A UNSATURATED POLYESTERS, UNSATURATED MONOMER, BISPHENOL-EPICHLOROHYDRIN COPOLYMER THICKENER HERCULES INCORPORATED (US) 1979-09-18 US disclosed
US-3941836-A SOLUBILIZERS, PLASTICIZER, UV ABSORBER THE LUBRIZOL CORPORATION (US) 1976-03-02 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ZDHHC20 1305/4885ZDHHC2 1570/4885ALDH1A1 2838/4885
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES TOP2A, TOP2B, PCNA ZDHHC20 4021/4885ZDHHC2 4226/4885ALDH1A1 1182/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ZDHHC20 1305/4885ZDHHC2 1570/4885ALDH1A1 2838/4885

“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.