SCHEMBL31145

SCHEMBL31145

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 1/20 0.31
HEXA P06865 1/20 0.30
HEXB P07686 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CNR2 P34972 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
SCHEMBL15043607 0.77 CACNA1B (0.49) KDM4ETSHRUSP2HTTHSD17B10
SCHEMBL15046520 0.69
SCHEMBL12897731 0.66 ALDH1A1 (0.39) KDM4ETSHRUSP2HTTHSD17B10
SCHEMBL16039609 0.66 ALDH1A1 (0.39) KDM4ETSHRUSP2HTTHSD17B10
SCHEMBL16039625 0.65 USP2 (0.44) KDM4ETSHRUSP2HTTHSD17B10
SCHEMBL13528452 0.65 ALDH1A1 (0.53) KDM4ETSHRUSP2HTTHSD17B10
SCHEMBL5878378 0.64 ALDH1A1 (0.50) KDM4ETSHRHTTHSD17B10LMNA
SCHEMBL21430883 0.63 CYP19A1 (0.33)
SCHEMBL30131244 0.63 SMN1; SMN2 (0.31) TSHRUSP2HTTHSD17B10SMN1; SMN2
SCHEMBL15043600 0.63 KDM4E (0.49) KDM4EHTTHSD17B10LMNAALDH1A1

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 729/4885TSHR 2798/4885USP2 3965/4885

“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.