SCHEMBL494582

SCHEMBL494582

COCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP2D6 P10635 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
TSHR P16473 2/20 0.33
APLNR P35414 1/20 0.33
STING1 Q86WV6 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL12914639 0.91 DGAT1 (0.35) DGAT1CA2CA12CA14CYP2D6
SCHEMBL3821975 0.86 DGAT1 (0.40) DGAT1CA2CA12CA14CYP2D6
SCHEMBL6688426 0.81 DGAT1 (0.37) DGAT1CA2CA12CA14CYP2D6
SCHEMBL12914654 0.81 STING1 (0.33) DGAT1CA2CA12CA14HDAC3
SCHEMBL16256491 0.80 GAA (0.33) TSHRGAA
SCHEMBL12234254 0.80 DGAT1 (0.34) DGAT1CA2CA12CA14CYP2D6
SCHEMBL27639930 0.79 HDAC3 (0.38) DGAT1CA2CA12CA14CYP2D6
SCHEMBL5547017 0.79 DGAT1 (0.36) DGAT1CA2CA12CA14CYP2D6
SCHEMBL15160845 0.78 ALDH1A1 (0.40) TSHRTDP1
SCHEMBL23451362 0.78 DGAT1 (0.33) DGAT1CA2CA12CA14CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US claimed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
US-20250243319-A1 STRONG BINDING METAL-CHELATING RESINS USING MACROCYCLE MOLECULES SACHEM INC (US) 2025-07-31 US disclosed
US-12331155-B2 Strong binding metal-chelating resins using macrocycle molecules SACHEM, INC. (US) 2025-06-17 US disclosed
US-20230365514-A1 MACROCYCLIC COMPOUNDS NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2023-11-16 US disclosed
US-20220380520-A1 STRONG BINDING METAL-CHELATING RESINS USING MACROCYCLE MOLECULES SACHEM, INC. 2022-12-01 US disclosed
WO-2022235769-A1 STRONG BINDING METAL-CHELATING RESINS USING MACROCYCLE MOLECULES SACHEM, INC. (US) 2022-11-10 WO disclosed
CN-104007629-B Liquid developer, image forming apparatus and method, developer box and handle box 富士施乐株式会社 2019-11-29 CN disclosed
CN-105527807-B Toner for developing electrostatic latent image 柯尼卡美能达株式会社 2019-11-05 CN disclosed
CN-105527805-B Electrostatic image developing toner Koyanagi Miyoshi (JP) 2019-11-01 CN disclosed
CN-105045056-B Image forming method 柯尼卡美能达株式会社 2019-10-18 CN disclosed
CN-1013201-B PROCESSES OF BULK POLYMERIZATION FOR PREPARING POLYMERS OR COPOLYMERS BASED ON CHLORO ETHELENE ATOCHEM (FR) 1991-07-17 CN disclosed
CN-1009004-B Vinyl chloride copolymer and process for producing the same ATOCHEM (FR) 1990-08-01 CN disclosed
CN-88100289-A With vinylchlorid is the mass polymerization production method of the polymkeric substance and the multipolymer of main component 1988-12-07 CN disclosed
US-RE32491-E BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-09-01 US disclosed
CN-87100379-A vinyl chloride copolymer and preparation method thereof 1987-08-05 CN disclosed
US-4414153-A 1,3-Dithietane-2-carboxylic acid penicillin and cephalosporin derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1983-11-08 US disclosed
US-4404373-A Process for the preparation of 7α-methoxy-7β-(1,3-diethietane-2-carboxamido)cephalosporanic acid derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 US disclosed
US-4263432-A ANTIBIOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-04-21 US disclosed
US-4198339-A INTERMEDIATES FOR PENICILLINS AND CEPHALOSPORINS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-15 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 DGAT1 3377/4885CA2 162/4885CA12 173/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 DGAT1 2018/4885CA2 107/4885CA12 261/4885
US-20230365514-A1 MACROCYCLIC COMPOUNDS SLC2A4, GALE, MPI DGAT1 2615/4885CA2 554/4885CA12 139/4885

“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.