SCHEMBL14707348

SCHEMBL14707348

CC(C)(C)N/C=C/C(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21957469 0.81 KDM4E (0.42) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL21957470 0.81 KDM4E (0.42) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL11738607 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11738617 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7196153 0.77 TSHR (0.40) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL8464142 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL8464139 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL23178917 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL10564524 0.73 NFE2L2 (0.55) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL10564520 0.73 NFE2L2 (0.55) ALDH1A1KDM4EMAPTHPGDHSD17B10

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-20130045952-A1 ABA Receptor Agonists for Increased Plant Stress Resistance VAN ANDEL RESEARCH INSTITUTE (US) 2013-02-21 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-20130045952-A1 ABA Receptor Agonists for Increased Plant Stress Resistance BROX, AAK1, ADORA3 ALDH1A1 3422/4885KDM4E 3079/4885GAA 2499/4885

“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.