SCHEMBL13484350

SCHEMBL13484350

C=C(C)OC(=O)NCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADRA1A P35348 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ LMNA P02545 1/20 0.34
▸ SLC15A2 Q16348 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ PRMT1 Q99873 1/20 0.32
▸ EPHX2 P34913 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
SCHEMBL13558758 0.84 MEN1 (0.40) HSD17B10TDP1ADRA1ALMNAEPHX2
SCHEMBL22735084 0.83 ECE1 (0.42) ECE1ADRA1APLA2G2ALMNASLC15A2
SCHEMBL12295177 0.82 TDP1 (0.38) ECE1HSD17B10TDP1
SCHEMBL13035367 0.81 HSD17B10 (0.31) HSD17B10TDP1
SCHEMBL12363095 0.79 HSD17B10 (0.42) HSD17B10TDP1
SCHEMBL22281707 0.79 TDP1 (0.42) HSD17B10TDP1
SCHEMBL3696695 0.79 EGLN1 (0.43) ECE1HSD17B10TDP1PLA2G2ALMNA
SCHEMBL11985010 0.78 HSD17B10 (0.34) HSD17B10TDP1
SCHEMBL12012184 0.78 HSD17B10 (0.41) HSD17B10TDP1TSHR
SCHEMBL205904 0.76 EPHX1 (0.50) ECE1TDP1ADRA1APLA2G2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
US-20080113573-A1 Partially fluorinated amino acid derivatives as gelling and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-15 — — 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 (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-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters SLC18A2, SLC6A2, SLC18A3 ECE1 1282/4885HSD17B10 1042/4885TDP1 2026/4885

“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.

Send feedback