SCHEMBL20109342

SCHEMBL20109342

C=C=C(CCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TSHR P16473 1/20 0.44
EGLN1 Q9GZT9 1/20 0.38
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 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
SCHEMBL17596720 0.85 FAAH (0.50) ALDH1A1TSHRFAAHHSD17B10MEN1
SCHEMBL28136671 0.85 FAAH (0.50) ALDH1A1TSHRFAAHHSD17B10MEN1
SCHEMBL20109335 0.76 ALDH1A1 (0.41) ALDH1A1TSHREGLN1MAPTNPSR1
SCHEMBL11771728 0.72 CES2 (0.46) ALDH1A1TSHREGLN1FFAR3HDAC3
SCHEMBL375086 0.71 ALDH1A1 (0.48) ALDH1A1TSHREGLN1FFAR3HDAC3
SCHEMBL14882820 0.71
SCHEMBL20109333 0.71 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9825186 0.70 ALDH1A1 (0.46) ALDH1A1TSHREGLN1FFAR3HDAC3
SCHEMBL305809 0.70 ALDH1A1 (0.46) ALDH1A1TSHREGLN1FFAR3HDAC3
SCHEMBL305810 0.70 ALDH1A1 (0.46) ALDH1A1TSHREGLN1FFAR3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 ALDH1A1 4621/4885TSHR 4125/4885EGLN1 3414/4885

“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.