SCHEMBL998622

SCHEMBL998622

CC(C)(C)OC(=O)C(C)(C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.61
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ELANE P08246 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3141601 0.85 DGAT1 (0.79) DGAT1TSHRALDH1A1ELANEMEN1
SCHEMBL16787839 0.78 DGAT1 (0.61) DGAT1GAAUSP2SMN1; SMN2
Hydrogen Peroxide SCHEMBL25411902 0.77 DGAT1 (0.52) DGAT1TSHRALDH1A1ELANEMEN1
SCHEMBL9067049 0.77 TSHR (0.42) DGAT1TSHRALDH1A1ELANECYP2D6
SCHEMBL9784263 0.76 DGAT1 (0.58) DGAT1
SCHEMBL13904644 0.76 DGAT1 (0.46) DGAT1TSHRALDH1A1MEN1GAA
SCHEMBL1735445 0.76 DGAT1 (1.00) DGAT1ALDH1A1ELANEMEN1GAA
SCHEMBL29798821 0.75 DGAT1 (0.37) DGAT1TSHRALDH1A1ELANECYP2D6
SCHEMBL1010735 0.74 DGAT1 (0.56) DGAT1TSHRALDH1A1ELANECYP2D6
SCHEMBL1486198 0.74 DGAT1 (0.44) DGAT1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527281-B Heterocyclic compounds, process for their preparation and their use 昆山彭济凯丰生物科技有限公司 2023-12-22 CN disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-10-19 US disclosed
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-10-19 US disclosed
CN-113527281-A Heterocyclic compounds, their preparation and use 昆山彭济凯丰生物科技有限公司 2021-10-22 CN disclosed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20160120878-A1 DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC 2016-05-05 US disclosed
US-20160120878-A1 DERIVATIVES OF BETULIN GLAXOSMITHKLINE LLC 2016-05-05 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-5698569-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-12-16 US disclosed
US-5622949-A AIDS THERAPY G. D. SEARLE & CO. (US) 1997-04-22 US disclosed
US-5620977-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-04-15 US disclosed
US-5614522-A SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS G.D. SEARLE & CO. (US) 1997-03-25 US disclosed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP disclosed
US-5475013-A Inhibit human immunodeficiency virus protease MONSANTO COMPANY (US) 1995-12-12 US disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 (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-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 DGAT1 548/4885TSHR 4563/4885ALDH1A1 2013/4885
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF GLP1R, GIPR, GCGR DGAT1 325/4885TSHR 127/4885ALDH1A1 1481/4885
US-20160120878-A1 DERIVATIVES OF BETULIN BET1, PGGT1B, TMPO DGAT1 2984/4885TSHR 4549/4885ALDH1A1 2729/4885

“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.