SCHEMBL803250

SCHEMBL803250

C#CCCCNC(=O)/C=C\C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TAAR1 Q96RJ0 6/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL10979950 0.82 ALDH1A1 (0.63) ALDH1A1TAAR1CYP2D6CYP2C19LMNA
SCHEMBL11133917 0.82 ALDH1A1 (0.63) ALDH1A1TAAR1CYP2D6CYP2C19LMNA
SCHEMBL11078064 0.82 ALDH1A1 (0.63) ALDH1A1TAAR1CYP2D6CYP2C19LMNA
SCHEMBL11133921 0.82 ALDH1A1 (0.63) ALDH1A1TAAR1CYP2D6CYP2C19LMNA
SCHEMBL14587455 0.81 ZDHHC20 (0.55) ALDH1A1TAAR1ZDHHC20KMT2ACYP1A2
SCHEMBL11142483 0.80 ALDH1A1 (0.61) ALDH1A1TAAR1ZDHHC20CYP2D6CYP2C19
SCHEMBL11140662 0.80 ALDH1A1 (0.61) ALDH1A1TAAR1ZDHHC20CYP2D6CYP2C19
SCHEMBL8857549 0.80 ALDH1A1 (0.61) ALDH1A1TAAR1ZDHHC20CYP2D6CYP2C19
SCHEMBL11142756 0.80 ALDH1A1 (0.61) ALDH1A1TAAR1ZDHHC20CYP2D6CYP2C19
SCHEMBL11139011 0.80 ALDH1A1 (0.61) ALDH1A1TAAR1ZDHHC20CYP2D6CYP2C19

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-20150133653-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2015-05-14 US disclosed
US-20120070377-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2012-03-22 US disclosed
WO-2010106341-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2010-09-23 WO 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 (2 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-20150133653-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF SSB, HLA-B, BDKRB1 ALDH1A1 371/4885TAAR1 1058/4885ZDHHC20 3014/4885
US-20120070377-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF SSB, HLA-B, BDKRB1 ALDH1A1 278/4885TAAR1 1062/4885ZDHHC20 2842/4885

“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.