SCHEMBL20109333

SCHEMBL20109333

C=C=C(Cc1ccccc1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
MMP8 P22894 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
PAM P19021 1/20 0.42

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
SCHEMBL20109359 0.89 KMT2A (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20109336 0.87 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20109356 0.86 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL20109358 0.86 KMT2A (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28547028 0.85 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20109355 0.81 LMNA (0.50) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL394740 0.79 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL17596712 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1119176 0.79 CES2 (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10047298 0.78 CES1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1MAPK1

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 4621/4885MAPT 4371/4885MEN1 469/4885

“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.