SCHEMBL40060

SCHEMBL40060

COC(=O)CCC(C(OC)OC)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
AKT1 P31749 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
EPOR P19235 2/20 0.39
POLB P06746 1/20 0.38
LTA4H P09960 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL15070158 0.88 KDM4E (0.43) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL45416 0.77 SIGMAR1 (0.46) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL22608742 0.76 EPOR (0.50) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL22608743 0.76 EPOR (0.50) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL22608741 0.76 EPOR (0.50) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL44025 0.76 TSHR (0.41) KDM4EALDH1A1LMNATDP1MEN1
SCHEMBL31170298 0.74 ADRA2B (0.53) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL44484 0.74 CSNK1E (0.41) EPOR
SCHEMBL8472602 0.74 KMT2A (0.49) KDM4EALDH1A1LMNATDP1CA12
SCHEMBL18554143 0.74 MME (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079824-B2 Method for the synthesis of an amino acetal NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-07-14 US disclosed
US-20130165682-A1 METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 US disclosed
WO-2012005693-A1 METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-12 WO disclosed
WO-2012005693-A1 METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-12 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-20130165682-A1 METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL AOX1, DAO, ALDH7A1 KDM4E 1830/4885ALDH1A1 11/4885LMNA 3202/4885

“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.