SCHEMBL4836068

SCHEMBL4836068

CN(Cc1cccc(C(=O)O)c1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
MEP1B Q16820 8/20 0.56
FOLH1 Q04609 1/20 0.56
MEP1A Q16819 3/20 0.55
AOC3 Q16853 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
PTPN1 P18031 1/20 0.50
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49

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
SCHEMBL29630981 0.86 FOLH1 (0.59) MEN1KMT2AMEP1BFOLH1MEP1A
SCHEMBL168738 0.86 FOLH1 (0.59) MEN1KMT2AMEP1BFOLH1MEP1A
Hydrochloric Acid SCHEMBL15067497 0.84 FOLH1 (0.58) MEN1KMT2AMEP1BFOLH1MEP1A
Hydrochloric Acid SCHEMBL29690742 0.84 FOLH1 (0.58) MEN1KMT2AMEP1BFOLH1MEP1A
SCHEMBL4835879 0.84 LOXL2 (0.60) MEN1KMT2AFOLH1NPC1RAB9A
SCHEMBL20794226 0.84 MEP1B (0.54) MEN1KMT2AMEP1BFOLH1MEP1A
SCHEMBL7083845 0.84 MEN1 (0.56) MEN1KMT2AAOC3NPC1RAB9A
SCHEMBL13229125 0.83 KMT2A (0.90) MEN1KMT2AHSD17B1HSD17B2
SCHEMBL11811255 0.82 MEP1B (0.72) MEN1KMT2AMEP1BFOLH1MEP1A
SCHEMBL12505623 0.82 MEN1 (0.54) MEN1KMT2AAOC3NPC1RAB9A

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-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-20050222139-A1 Non-peptide gnrh antagonists FERRING B.V. (NL) 2005-10-06 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-20050222139-A1 Non-peptide gnrh antagonists GNRHR, BRS3, FSHR MEN1 1089/4885KMT2A 1763/4885MEP1B 2212/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR MEN1 1037/4885KMT2A 1744/4885MEP1B 2014/4885

“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.