SCHEMBL31278

SCHEMBL31278

C[C@]12C=C[C@](C)(C1)[C@@H]1C(=O)N(CCC(=O)O)C(=O)[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 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
SCHEMBL31145 0.83 KDM4E (0.36) KDM4EMAPK1ALDH1A1HIF1AHSD17B10
SCHEMBL15043600 0.81 KDM4E (0.49) KDM4EMAPK1ALDH1A1PKMHSD17B10
SCHEMBL31212 0.78 KDM4E (0.34) KDM4EMAPK1ALDH1A1KMT2AMEN1
SCHEMBL11941712 0.71 ALDH1A1 (0.55) KDM4EMAPK1ALDH1A1PKMHSD17B10
SCHEMBL31722261 0.70 PTGS1 (0.50) KDM4EMAPK1ALDH1A1HSD17B10NPSR1
SCHEMBL9947532 0.67 MAPK1 (0.57) KDM4EMAPK1ALDH1A1PKMHSD17B10
SCHEMBL7802853 0.67 MAPK1 (0.53) KDM4EMAPK1ALDH1A1PKMHSD17B10
SCHEMBL7806227 0.67 MAPK1 (0.53) KDM4EMAPK1ALDH1A1PKMHSD17B10
SCHEMBL10031686 0.67 MAPK1 (1.00) KDM4EMAPK1ALDH1A1HSD17B10POLB
SCHEMBL31141366 0.67 MAPK1 (1.00) KDM4EMAPK1ALDH1A1HSD17B10POLB

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-8816062-B2 Maleimide-furanyl compounds that can be used in a general method for preparing maleimide-oligonucleotide derivatives UNIVERSITAT DE BARCELONA (ES) 2014-08-26 US disclosed
US-20130158248-A1 MALEIMIDE-FURANYL COMPOUNDS THAT CAN BE USED IN A GENERAL METHOD FOR PREPARING MALEIMIDE-OLIGONUCLEOTIDE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2013-06-20 US disclosed
WO-2012025646-A1 MALEIMIDE‑FURANYL COMPOUNDS THAT CAN BE USED IN A GENERAL METHOD FOR PREPARING MALEIMIDE‑OLIGONUCLEOTIDE DERIVATIVES UNIVERSITAT DE BARCELONA (ES) 2012-03-01 WO 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-20130158248-A1 MALEIMIDE-FURANYL COMPOUNDS THAT CAN BE USED IN A GENERAL METHOD FOR PREPARING MALEIMIDE-OLIGONUCLEOTIDE DERIVATIVES NSUN2, POLL, NT5C3B KDM4E 729/4885MAPK1 4269/4885ALDH1A1 4111/4885

“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.