SCHEMBL1277181

SCHEMBL1277181

C/C(=C\c1ccccc1-c1ccc(O)cc1C)C(=O)NC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.39
ESR2 Q92731 5/20 0.38
ESR1 P03372 4/20 0.35
F10 P00742 1/20 0.34
MAPT P10636 3/20 0.32
ALOX12 P18054 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK10 P53779 1/20 0.32
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
HSD17B2 P37059 1/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1708745 0.91 F10 (0.35) F10MAPTMEN1KMT2APOLB
SCHEMBL1277263 0.87 DHODH (0.35) HSD17B1ESR2ESR1F10MAPT
SCHEMBL1277440 0.87 ESR1 (0.34) HSD17B1ESR2ESR1F10HCAR2
SCHEMBL1277396 0.87 F10 (0.39) F10
SCHEMBL1277277 0.83 BACE1 (0.40) HSD17B1ESR2F10DHODHBACE1
SCHEMBL1277297 0.83 HSD17B1 (0.44) HSD17B1ESR2ESR1F10HCAR2
SCHEMBL1277698 0.83 MAPT (0.36) F10MAPTMEN1KMT2ALMNA
SCHEMBL1277175 0.82 F10 (0.34) F10HPGD
SCHEMBL1277389 0.82 BAZ2B (0.38) HSD17B1F10HSD17B2BACE1
SCHEMBL1277133 0.82 F10 (0.37) F10DHODHBACE1

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 6 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-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
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
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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 HSD17B1 2621/4885ESR2 2447/4885ESR1 3341/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 HSD17B1 2621/4885ESR2 2447/4885ESR1 3341/4885

“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.