SCHEMBL1647137

SCHEMBL1647137

CCC(C(=O)O)n1nnnc1-c1ccccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
KDM4E B2RXH2 3/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
KCNJ1 P48048 2/20 0.34
HSD11B1 P28845 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HCAR3 P49019 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL1646513 0.79 PTGS2 (0.41) KDM4EMAPTTP53HSD17B10ALDH1A1
SCHEMBL1646427 0.77 HDAC3 (0.37) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL4686931 0.74 KCNN4 (0.48) KCNN4KCNJ1HSD11B1PDCD1CD274
SCHEMBL3784925 0.72 KCNN4 (0.51) KCNN4TP53KCNJ1ALDH1A1SMN1; SMN2
SCHEMBL18839845 0.72 HCAR3 (0.40) KDM4EMAPTTP53HCAR3HSD17B10
SCHEMBL828870 0.70 HCAR3 (0.39) KDM4EMAPTTP53HCAR3HSD17B10
SCHEMBL9469043 0.70 MAPT (0.39) KDM4EMAPTTP53HSD17B10ALDH1A1
SCHEMBL1648155 0.69 P2RX7 (0.60) KCNN4ALDH1A1KMT2A
SCHEMBL11356705 0.69 HCAR3 (0.38) KDM4EMAPTTP53HCAR3HSD17B10
SCHEMBL17159778 0.68 HSD11B1 (0.54) KDM4EHSD11B1ALDH1A1HPGDSMN1; SMN2

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-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP 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-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 KCNN4 3354/4885KDM4E 1786/4885MAPT 16/4885

“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.