SCHEMBL5679073

SCHEMBL5679073

C=CC(c1ccccc1)C1OC(=O)C(Cl)=C1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1690392 0.64 CHRM2 (0.37)
SCHEMBL2545095 0.61 KDM4E (0.32) MAPTKDM4ECYP3A4ALOX15LMNA
SCHEMBL461672 0.60 IDO1 (0.42) MAPTLMNAHTTKMT2A
SCHEMBL10784398 0.59 IDO1 (0.49) MAPTKDM4ELMNAKMT2A
SCHEMBL6843663 0.59 MEN1 (0.41) MAPTKDM4ECYP3A4ALOX15ALDH1A1
SCHEMBL22470816 0.58 KDM4E (0.32) MAPTKDM4ECYP3A4ALOX15
SCHEMBL6326740 0.58 NSD2 (0.37) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10627461 0.58 CYP1A2 (0.44) MAPTKDM4ECYP3A4ALOX15LMNA
SCHEMBL1702617 0.57 SLC6A2 (0.42)
SCHEMBL8583801 0.57 CYP2C19 (0.42) MAPTKDM4ECYP3A4ALOX15ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071339-B2 Process for preparing functionalized γ-butyrolactones from mucohalic acid WARNER LAMBERT COMPANY LLC (US) 2006-07-04 US disclosed
EP-1537095-B1 PROCESS FOR PREPARING FUNCTIONALIZED GAMMA-BUTYROLACTONES FROM MUCOHALIC ACID WARNER LAMBERT CO (US) 2006-02-22 EP disclosed
EP-1537095-A1 PROCESS FOR PREPARING FUNCTIONALIZED -BUTYROLACTIONES FROM MUCOHALIC ACID Warner-Lambert Company LLC (US) 2005-06-08 EP disclosed
US-20040049058-A1 Process for preparing functionalized gamma-butyrolactiones from mucohalic acid BELMONT DANIEL (US) 2004-03-11 US disclosed
WO-2004020424-A1 PROCESS FOR PREPARING FUNCTIONALIZED -BUTYROLACTIONES FROM MUCOHALIC ACID WARNER-LAMBERT COMPANY LLC (US) 2004-03-11 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-20040049058-A1 Process for preparing functionalized gamma-butyrolactiones from mucohalic acid MUC1, ALG1, ST3GAL3 MAPT 4800/4885KDM4E 2782/4885CYP3A4 984/4885

“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.