SCHEMBL6325001

SCHEMBL6325001

C=CCNC1OC(=O)C(Cl)=C1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MITF O75030 1/20 0.35
NSD2 O96028 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.31
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
SCHEMBL6325005 0.69 MAPT (0.44) ALDH1A1KMT2AMAPTHSD17B10POLB
SCHEMBL14505735 0.64 ALDH1A1 (0.33) ALDH1A1POLB
SCHEMBL14505734 0.60 ALDH1A1 (0.31) ALDH1A1KMT2AMAPTHSD17B10
Mucochloric Acid SCHEMBL1010785 0.56
SCHEMBL10613045 0.56 IDO1 (0.31)
SCHEMBL414388 0.55 KMT2A (0.35) ALDH1A1KMT2AMAPTHSD17B10POLB
SCHEMBL7109964 0.54 DPP7 (0.37) ALDH1A1KMT2A
SCHEMBL1568044 0.52
SCHEMBL14505730 0.52 KDM4E (0.40) ALDH1A1KMT2AMAPTHSD17B10POLB
SCHEMBL366613 0.52

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
WO-2005026141-A2 PROCESS FOR PREPARATION OF SUBSTITUTED BUTENOLIDES VIA PALLADIUM-FREE ETHERIFICATION AND AMINATION OF MASKED MUCOHALIC ACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO claimed
WO-2005026141-A2 PROCESS FOR PREPARATION OF SUBSTITUTED BUTENOLIDES VIA PALLADIUM-FREE ETHERIFICATION AND AMINATION OF MASKED MUCOHALIC ACIDS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
US-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids BLAZECKA PETER GARTH (CA) 2005-03-17 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 (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-20050059831-A1 Preparation of substituted butenolides via palladium-free etherification and amination of masked mucohalic acids DBH, OR51E2, OR10J3 ALDH1A1 161/4885KMT2A 902/4885MAPT 4622/4885

“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.