SCHEMBL4183750

SCHEMBL4183750

CC(CC(N)=O)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.32
FDPS P14324 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL29489578 0.82 KDM4E (0.31) ECE1
SCHEMBL26107407 0.80 CA2 (0.35) MMP1MMP2MMP3
SCHEMBL21184231 0.79 ECE1 (0.31) ECE1FDPS
SCHEMBL3392036 0.79 ALDH1A1 (0.38) ECE1
SCHEMBL7100178 0.79 TDP1 (0.32)
SCHEMBL143938 0.78 SLC22A6 (0.38)
SCHEMBL514097 0.78 ALDH1A1 (0.31) MMP1MMP2MMP3
SCHEMBL10045293 0.78 ALDH1A1 (0.48) MMP1MMP2MMP3
SCHEMBL23288379 0.77 ALDH1A1 (0.33)
SCHEMBL21315733 0.76 BHMT (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-0039032-A2 Use of 3,5,5-trimethylhexanoic acid amides as perfuming agents and compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP claimed
EP-4565344-A1 SELECTIVE EXTRACTION OF RHODIUM FROM HYDROCHLORIC ACID SOLUTIONS COMPRISING RHODIUM AND IRIDIUM Johnson Matthey Public Limited Company (GB) 2025-06-11 EP disclosed
WO-2024028564-A1 SELECTIVE EXTRACTION OF RHODIUM FROM HYDROCHLORIC ACID SOLUTIONS COMPRISING RHODIUM AND IRIDIUM JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2024-02-08 WO disclosed
EP-3277084-B1 COMPOSITION COMPRISING A PESTICIDE AND ISONONANOIC ACID N,N-DIMETHYL AMIDE BASF SE (DE) 2022-01-12 EP disclosed
WO-2013170934-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-11-21 WO disclosed
EP-2379687-B1 WATER-BASED HYDRAULIC FLUIDS COMPRISING DITHIO-DI(ARYL CARBOLIC ACIDS) CLARIANT FINANCE BVI LTD (VG) 2013-04-24 EP disclosed
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
US-6333432-B1 CONTROLLING PHYTOPATHOGENS DOW AGROSCIENCES LLC 2001-12-25 US disclosed
US-5187053-A Storage stability FUJI PHOTO FILM CO., LTD. (JP) 1993-02-16 US disclosed
US-5037733-A High speed, storage stable photographic films and papers, surface bromination of silver halide grains, cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 1991-08-06 US disclosed
US-4770991-A HIGH SPEED GIVING HIGH CONTRAST AND HIGH MAXIMUM DENSITY IMAGES FUJI PHOTO FILM CO., LTD. (JP) 1988-09-13 US disclosed
EP-0039032-A2 Use of 3,5,5-trimethylhexanoic acid amides as perfuming agents and compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed
EP-0039032-A2 Use of 3,5,5-trimethylhexanoic acid amides as perfuming agents and compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed
EP-0039032-A2 Use of 3,5,5-trimethylhexanoic acid amides as perfuming agents and compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 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 (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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT ECE1 3448/4885FDPS 370/4885MMP1 4200/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ECE1 1198/4885FDPS 1684/4885MMP1 1708/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ECE1 1298/4885FDPS 2615/4885MMP1 1566/4885

“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.