SCHEMBL12306239

SCHEMBL12306239

CCOC(=O)OC(C)(C)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SOAT1 P35610 1/20 0.50
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TRPA1 O75762 1/20 0.36
PKM P14618 3/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL12315227 0.90 ALDH1A1 (0.60) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL187396 0.80 ALDH1A1 (0.60) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL607878 0.79 DGAT1 (0.31) ALDH1A1GAATSHR
SCHEMBL16807886 0.77
SCHEMBL2229434 0.76 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL29136421 0.76 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL9465250 0.76 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL576970 0.76 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL27297943 0.76 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL14782126 0.76 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US 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 (2 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M ALDH1A1 2455/4885SOAT1 3195/4885LMNA 3775/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M ALDH1A1 2468/4885SOAT1 2951/4885LMNA 4295/4885

“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.