SCHEMBL54890

SCHEMBL54890

CC(C)(C)OC(=O)CC(C)(C)O[C]=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.31
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL10618987 0.81 TSHR (0.39)
SCHEMBL4013578 0.78 GAA (0.43)
SCHEMBL4312348 0.76 LMNA (0.36) CYP2D6
SCHEMBL2725240 0.76 ALDH1A1 (0.31)
SCHEMBL8216952 0.76
SCHEMBL15063824 0.76 DGAT1 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL6351731 0.75 TDP1 (0.42) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL4784310 0.74 CYP2D6 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL64420 0.74 CYP2D6 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2
SCHEMBL3363552 0.74 CYP2D6 (0.33) CYP2D6DGAT1HDAC3HDAC1HDAC2

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 1666 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US claimed
US-20230235328-A1 NOVEL MORPHOLINO OLIGONUCLEOTIDE DERIVATIVES Nexoligo Co., Ltd. (KR) 2023-07-27 US claimed
EP-4200309-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES ATEA Pharmaceuticals, Inc. (US) 2023-06-28 EP claimed
US-20230116733-A1 NOVEL INDAZOLE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OFCHEMICAL TECHNOLOGY (KR) 2023-04-13 US claimed
CN-115884977-A Stereoselective preparation of selected purine phosphoramidates 阿堤亚制药公司 2023-03-31 CN claimed
US-20230102721-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME I-SENS, INC. (KR) 2023-03-30 US claimed
EP-4083043-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME I-SENS, INC. (KR) 2022-11-02 EP claimed
EP-4079732-A1 NOVEL INDAZOLE DERIVATIVE, AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2022-10-26 EP claimed
EP-3359580-B1 POLYMER HAVING ANTIMICROBIAL AND/OR ANTIFOULING PROPERTIES UNIV FREIBURG ALBERT LUDWIGS (DE) 2022-03-30 EP claimed
WO-2022040473-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2022-02-24 WO claimed
EP-0421682-B1 Novel peptides, intermediates therefor, process for preparing the same, and antiallergic agents, vasodilators and immunoregulators HITACHI CHEMICAL CO LTD (JP) 1997-03-26 EP claimed
US-5565574-A BIOSYNTHESIS OF SYNTHETIC PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-10-15 US claimed
EP-0703900-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE DERIVATIVES OR HOMOLOGUES CONTAINING A GUANIDINO OR MODIFIED GUANIDINO GROUP USEFUL FOR THE PREPARATION GnRH OF ANTAGONISTIC PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1996-04-03 EP claimed
US-5420277-A BACTERICIDE INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1995-05-30 US claimed
EP-0540626-A1 PROCESS FOR SYNTHESIZING PEPTIDES EASTMAN CHEMICAL COMPANY (US) 1993-05-12 EP claimed
EP-0538692-A1 Use of partly known substituted pyrrolidine derivatives as pharmaceuticals, new compounds and process for their preparation BAYER AG (DE) 1993-04-28 EP claimed
EP-0132770-B1 INSULIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DIABETES MELLITUS HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-16 EP claimed
EP-0137361-A2 Insulin derivatives modified in position B 30, process for their preparation, their vuse and pharmaceutical agents for the treatment of diabetes mellitus HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-17 EP claimed
EP-0132770-A1 Insulin derivatives, processes for their preparation, their use and pharmaceutical compositions for the treatment of diabetes mellitus HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-13 EP claimed
US-4400377-A Use of polypeptides as analgesic drugs FARMITALIA CARLO ERBA, S.P.A. (IT) 1983-08-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230235328-A1 NOVEL MORPHOLINO OLIGONUCLEOTIDE DERIVATIVES RNGTT, MPO, RNMT CYP2D6 4024/4885DGAT1 2280/4885HDAC3 3109/4885
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 CYP2D6 2923/4885DGAT1 1432/4885HDAC3 4149/4885
US-20230102721-A1 NOVEL ORGANIC ELECTRON TRANSFER MEDIATOR AND DEVICE COMPRISING SAME MT-ND4, MT-ND2, SLC25A21 CYP2D6 1896/4885DGAT1 388/4885HDAC3 4780/4885
US-20230116733-A1 NOVEL INDAZOLE DERIVATIVE AND USE THEREOF TRIB2, YAP1, IDO2 CYP2D6 1940/4885DGAT1 1871/4885HDAC3 16/4885

“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.