SCHEMBL10001052

SCHEMBL10001052

CCC1C(C(=O)OCC(=O)O)=C(C)NC(C)=C1C(=O)OCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 3/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 6/20 0.45
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10001054 0.94 ALDH1A1 (0.54) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL10001053 0.92 ALDH1A1 (0.56) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL10001049 0.87 KDM4E (0.58) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL14963236 0.84 KDM4E (0.50) ADORA3ALDH1A1LMNAHPGDHSD17B10
SCHEMBL432202 0.80 KDM4E (0.66) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL1007130 0.79 ALDH1A1 (0.73) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL5359112 0.77 GAA (0.59) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL10035458 0.77 KDM4E (0.55) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL9672168 0.76 ALDH1A1 (0.65) ADORA3ALDH1A1LMNATSHRTP53
SCHEMBL10001050 0.76 KDM4E (0.70) ADORA3ALDH1A1LMNATSHRTP53

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-8492413-B2 Pharmaceutical combination of 5-fluorouracil and derivate of 1,4-dihydropyridine and its use in the treatment of cancer JSC GRINDEKS (LV) 2013-07-23 US disclosed
US-8492413-B2 Pharmaceutical combination of 5-fluorouracil and derivate of 1,4-dihydropyridine and its use in the treatment of cancer JSC GRINDEKS (LV) 2013-07-23 US disclosed
US-20120022088-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER JSC GRINDEKS (LV) 2012-01-26 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-20120022088-A1 PHARMACEUTICAL COMBINATION OF 5-FLUOROURACIL AND DERIVATE OF 1,4-DIHYDROPYRIDINE AND ITS USE IN THE TREATMENT OF CANCER DPYD, DHFR, FOLR1 ADORA3 981/4885ALDH1A1 63/4885LMNA 4640/4885

“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.