SCHEMBL7603535

SCHEMBL7603535

CCOC(=O)N(CC)CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MAPT P10636 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 2/20 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
SCHEMBL13301217 0.87 TSHR (0.37) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL304323 0.85 MEN1 (0.32) MEN1KMT2ACA12CA1CA2
SCHEMBL12763775 0.84 CA12 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL14230113 0.84 CA1 (0.40) ALDH1A1LMNAHSD17B10CA12CA1
SCHEMBL304559 0.82 MC4R (0.35) ALDH1A1LMNAMEN1KMT2ACA12
SCHEMBL14200284 0.81 MMP8 (0.34) ALDH1A1MAPTSMN1; SMN2MMP8
SCHEMBL25567933 0.81 ALDH1A1 (0.34) ALDH1A1LMNAMEN1KMT2ACA12
SCHEMBL304558 0.81 MEN1 (0.33) ALDH1A1LMNAMEN1KMT2ACA12
SCHEMBL11419403 0.79 CA12 (0.43) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL10087929 0.79 CA12 (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
US-6448412-B1 COMBINATORIAL CHEMISTRY LIBRARIES SPHERE BIOSYSTEMS, INC. 2002-09-10 US disclosed
US-6399785-B1 BIOSYNTHESIS; LIBRARY OF COMPOUNDS; DRUGS C-SIXTY, INC. (CA) 2002-06-04 US disclosed
US-6162926-A Multi-substituted fullerenes and methods for their preparation and characterization SPHERE BIOSYSTEMS, INC. (US) 2000-12-19 US disclosed
WO-1996036631-A1 MULTIPLY-SUBSTITUTED FULLERENES AND METHODS FOR THEIR PREPARATION AND CHARACTERIZATION SPHERE BIOSYSTEMS, INC. (US) 1996-11-21 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 (1 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT ALDH1A1 1218/4885LMNA 1005/4885HSD17B10 939/4885

“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.