SCHEMBL2625536

SCHEMBL2625536

CC(C)(C)CC(C)(C)CO

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
GMNN O75496 1/20 0.30
GABBR2 O75899 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5681862 0.85 MEN1 (0.32) MEN1GMNNGABBR2ALDH1A1LMNA
Propionic Acid SCHEMBL28841722 0.82 FFAR3 (0.48) MEN1ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL19621 0.76
SCHEMBL229715 0.76 ALDH1A1 (0.35) MEN1GMNNGABBR2ALDH1A1LMNA
SCHEMBL1066136 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL16142531 0.74
SCHEMBL8204414 0.73 TSHR (0.33) TSHR
SCHEMBL4980321 0.73
SCHEMBL13878245 0.73 MEN1 (0.37) MEN1LMNAKMT2A
SCHEMBL13896428 0.73 MEN1 (0.32) MEN1GMNNGABBR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287204-A1 OXIDIZED POLYISOBUTENE COMPOUNDS AND METHODS OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-09-14 US disclosed
EP-4143256-A1 OXIDIZED POLYISOBUTENE COMPOUNDS AND METHODS OF MAKING THE SAME The Regents of The University of California (US) 2023-03-08 EP disclosed
CN-110662746-B Compounds as orally administered prodrugs of beta-lactamase inhibitors, pharmaceutical compositions thereof and use for treating bacterial infections 阿里萨制药有限公司 2022-08-19 CN disclosed
WO-2021222630-A1 OXIDIZED POLYISOBUTENE COMPOUNDS AND METHODS OF MAKING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 US disclosed
US-9758527-B2 Cyclohexene derivative, preparation method therefor, and pharmaceutical composition for preventing or treating metabolic diseases, containing same as active ingredient HYUNDAI PHARM CO., LTD. (KR) 2017-09-12 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20170114072-A1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2017-04-27 US disclosed
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
EP-0937094-A1 METHOD FOR THE PRODUCTION OF IVERMECTIN BAYER AG (DE) 1999-08-25 EP disclosed
WO-1998018806-A1 METHOD FOR THE PRODUCTION OF IVERMECTIN BAYER AKTIENGESELLSCHAFT (DE) 1998-05-07 WO disclosed
US-4874488-A USING MERCURY CATALYST AND ULTRAVIOLET RADIATION YALE UNIVERSITY (US) 1989-10-17 US disclosed
EP-0288557-A1 PHOTOCHEMICAL DIMERIZATION AND FUNCTIONALIZATION OF ALKANES, ETHERS, PRIMARY AND SECONDARY ALCOHOLS, PHOSPHINE OXIDES AND SILANES YALE UNIVERSITY (US) 1988-11-02 EP disclosed
WO-1988003436-A1 PHOTOCHEMICAL DIMERIZATION AND FUNCTIONALIZATION OF ALKANES, ETHERS, PRIMARY AND SECONDARY ALCOHOLS, PHOSPHINE OXIDES AND SILANES YALE UNIVERSITY (US) 1988-05-19 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 (6 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MEN1 3823/4885GMNN 4230/4885GABBR2 4491/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MEN1 3823/4885GMNN 4230/4885GABBR2 4491/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MEN1 1500/4885GMNN 3461/4885GABBR2 824/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB MEN1 1579/4885GMNN 1030/4885GABBR2 4173/4885
US-20170114072-A1 CYCLOHEXENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING METABOLIC DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT GLP1R, GPR119, GCGR MEN1 383/4885GMNN 2050/4885GABBR2 3092/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 MEN1 1760/4885GMNN 4766/4885GABBR2 2577/4885

“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.