SCHEMBL72044

SCHEMBL72044

CCOCC(=O)NCCOCCOCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ GLP1R P43220 5/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SPR P35270 1/20 0.36

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
SCHEMBL13113388 0.97 CES2 (0.42) CES2MEN1KMT2AALDH1A1TSHR
SCHEMBL12733551 0.93 ALDH1A1 (0.41) CES2MEN1KMT2AALDH1A1NAMPT
SCHEMBL11928874 0.93 ALDH1A1 (0.41) CES2MEN1KMT2AALDH1A1NAMPT
SCHEMBL26376485 0.91 CES2 (0.44) CES2MEN1KMT2AALDH1A1TSHR
SCHEMBL15259279 0.90 CES2 (0.46) CES2MEN1KMT2AALDH1A1TSHR
SCHEMBL12734767 0.90 MEN1 (0.44) CES2MEN1KMT2ATSHRFAAH
SCHEMBL12807256 0.90 CES2 (0.46) CES2MEN1KMT2AALDH1A1TSHR
SCHEMBL13226771 0.90 CES2 (0.46) CES2MEN1KMT2AALDH1A1TSHR
SCHEMBL13014736 0.89 ALDH1A1 (0.43) CES2MEN1KMT2AALDH1A1NAMPT
SCHEMBL23518687 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1NAMPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9480753-B2 FGF21 derivatives with albumin binder A-B-C-D-E- and their use NOVO NORDISK A/S (DK) 2016-11-01 — — US disclosed
US-20120283170-A1 Acylated Exendin-4 Compounds NOVO NORDISK A/S (DK) 2012-11-08 — — US disclosed
US-8129343-B2 Acylated GLP-1 compounds NOVO NORDISK A/S (DK) 2012-03-06 — — US disclosed
US-8129343-B2 Acylated GLP-1 compounds NOVO NORDISK A/S (DK) 2012-03-06 — — US disclosed
US-20100292133-A1 TRUNCATED GLP-1 DERIVATIES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2010-11-18 — — US disclosed
US-20100216715-A1 FGF21 Derivatives With Albumin Binder A-B-C-D-E- And Their Use NOVO NORDISK A/S (DK) 2010-08-26 — — US disclosed
US-20090156478-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2009-06-18 — — US disclosed
US-20090156478-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2009-06-18 — — 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 (4 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-20100216715-A1 FGF21 Derivatives With Albumin Binder A-B-C-D-E- And Their Use FABP1, FABP4, FGFR1 CES2 1274/4885MEN1 4363/4885KMT2A 4434/4885
US-20090156478-A1 Acylated GLP-1 Compounds GLP1R, GIPR, GCGR CES2 2579/4885MEN1 922/4885KMT2A 2972/4885
US-20100292133-A1 TRUNCATED GLP-1 DERIVATIES AND THEIR THERAPEUTICAL USE GLP1R, GIPR, IAPP CES2 4822/4885MEN1 293/4885KMT2A 826/4885
US-20120283170-A1 Acylated Exendin-4 Compounds GLP1R, VIP, IAPP CES2 2488/4885MEN1 602/4885KMT2A 1938/4885

“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.

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