SCHEMBL1277339

SCHEMBL1277339

Oc1cc(OBOc2cc(O)c(O)c(O)c2)cc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 2/20 0.39
SELP P16109 2/20 0.39
SELE P16581 1/20 0.39
TDP1 Q9NUW8 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
FUT7 Q11130 2/20 0.35
MAPT P10636 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
HPGD P15428 2/20 0.35
CA6 P23280 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CA12 O43570 1/20 0.35
TP53 P04637 1/20 0.35
CA3 P07451 1/20 0.35
FUT4 P22083 1/20 0.35
CA4 P22748 1/20 0.35
DPP4 P27487 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
SCHEMBL1277386 0.80 BACE1 (0.47) TDP1LMNAALDH1A1KDM4EMAPT
SCHEMBL1277219 0.79 ESR1 (0.36)
SCHEMBL16654142 0.79
SCHEMBL1277361 0.74 APP (0.42) TDP1LMNAALDH1A1KDM4EMAPT
SCHEMBL1277377 0.74 CA3 (0.48) CA6CA3CA5ACA9CA14
SCHEMBL3716120 0.70 CA12 (0.52) CA1CA12CA9
SCHEMBL16783445 0.70 HCAR1 (0.39) ALDH1A1HPGDHSD17B10CYP3A4RECQL
SCHEMBL14660398 0.69 TSHR (0.45) TDP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL423469 0.69 ESR1 (0.41) LMNAKDM4ECA6HSD17B10CA3
SCHEMBL67338 0.69 CYP3A4 (0.67) SELLSELPSELETDP1LMNA

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-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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 (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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 SELL 3425/4885SELP 3205/4885SELE 2888/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 SELL 3425/4885SELP 3205/4885SELE 2888/4885

“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.