SCHEMBL2649752

SCHEMBL2649752

CCC(C)(C)C1CCC(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 5/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
GCGR P47871 2/20 0.36
HTT P42858 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 3/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32

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
SCHEMBL17247965 0.88 SLC2A1 (0.40) SLC2A1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL112039 0.87 SLC2A1 (0.41) SLC2A1ALDH1A1MAPTSMN1; SMN2LMNA
Cyclohexanone SCHEMBL3913013 0.80 ALDH1A1 (0.42) SLC2A1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11210823 0.79 SLC2A1 (0.34) SLC2A1
SCHEMBL4868148 0.78 HPGD (0.40) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL401756 0.78 HPGD (0.40) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9912797 0.76 ALDH1A1 (0.31) SLC2A1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11450694 0.74 SLC2A1 (0.32) SLC2A1
SCHEMBL5918114 0.74 SLC2A1 (0.32) SLC2A1
SCHEMBL10427966 0.73 SLC2A1 (0.39) SLC2A1ALDH1A1MAPTSMN1; SMN2LMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304762-B2 Tetrathiafulvalene derivatives and organic thin-film transistor TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-11-06 US disclosed
US-8304762-B2 Tetrathiafulvalene derivatives and organic thin-film transistor TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-11-06 US disclosed
US-20100213444-A1 ORGANIC SEMICONDUCTOR AND ORGANIC THIN-FILM TRANSISTOR AUGME TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100213444-A1 ORGANIC SEMICONDUCTOR AND ORGANIC THIN-FILM TRANSISTOR AUGME TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-7414040-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2008-08-19 US disclosed
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US disclosed
US-20050234020-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. 2005-10-20 US disclosed
EP-1556059-A1 THROMBOPOIETIN MIMETICS Smithkline Beecham (US) 2005-07-27 EP disclosed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 WO disclosed
WO-2003103686-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-18 WO disclosed
EP-0093853-A1 Substituted derivatives of 3-isopropyl cyclopentanone, their preparation and use as perfumes and compositions containing these derivatives HÜLS AKTIENGESELLSCHAFT (DE) 1983-11-16 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-20100213444-A1 ORGANIC SEMICONDUCTOR AND ORGANIC THIN-FILM TRANSISTOR OR10J3, TMEM109, TMT1A SLC2A1 1198/4885ALDH1A1 2085/4885MAPT 1283/4885
US-20050234020-A1 Thrombopoietin mimetics MPL, THPO, TEK SLC2A1 4438/4885ALDH1A1 1012/4885MAPT 4627/4885
US-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR SLC2A1 26/4885ALDH1A1 2972/4885MAPT 4230/4885

“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.