SCHEMBL2293356

SCHEMBL2293356

CCCC[Sn](CCCC)(CCCC)c1cc(N2CCCC2=O)cc(C(=O)O)c1N1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL23500799 0.73 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5217257 0.69 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL5218358 0.67 PLA2G2A (0.59) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL5853388 0.67 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL7934718 0.67 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5221285 0.66 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL28406303 0.66 LMNA (0.54) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL440026 0.66 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDUSP2KMT2A
SCHEMBL5219110 0.66 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3678191 0.66 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980220-B2 Molecular probe for imaging of pancreatic islets and use of the same KYOTO UNIVERSITY (JP) 2015-03-17 US disclosed
US-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same KYOTO UNIVERSITY (JP) 2011-08-25 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-20110206605-A1 Molecular Probe for Imaging of Pancreatic Islets and Use of the Same IAPP, NGLY1, GPR119 ALDH1A1 4779/4885HSD17B10 4300/4885CYP1A2 4881/4885

“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.