SCHEMBL6749397

SCHEMBL6749397

O=C=C1OC(=O)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.45
PPOX P50336 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.36
USP8 P40818 2/20 0.35
USP7 Q93009 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
USP47 Q96K76 1/20 0.35
CES1 P23141 2/20 0.34
TGM2 P21980 1/20 0.34
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TYMS P04818 1/20 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
SCHEMBL79617 0.80 S100A4 (0.56) S100A4PPOXCA12CA1CA2
SCHEMBL10587103 0.78 S100A4 (0.54) S100A4PPOXCA12CA1CA2
SCHEMBL4668872 0.78 S100A4 (0.54) S100A4PPOXCA12CA1CA2
SCHEMBL31376098 0.78 S100A4 (0.54) S100A4PPOXCA12CA1CA2
SCHEMBL6745161 0.76 TDP1 (0.59) S100A4ALOX15TDP1KDM4EKMT2A
SCHEMBL17195907 0.73 S100A4 (0.48) S100A4PPOXCA12CA1CA2
Bicarbonate SCHEMBL9337931 0.70 CA1 (0.50) S100A4PPOXCA12CA1CA2
Bicarbonate SCHEMBL9337919 0.70 CA1 (0.50) S100A4PPOXCA12CA1CA2
SCHEMBL20932736 0.69 PPOX (0.48) S100A4PPOXCA12CA1CA2
SCHEMBL28915467 0.66 KDM4E (0.67) S100A4TDP1KDM4EKMT2AMAOB

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-20040225136-A1 Process for the preparation of 5-formylphthalide H. LUNDBECK A/S (DK) 2004-11-11 US disclosed
WO-2003011847-A1 PROCESS FOR THE PREPARATION OF 5-FORMYLPHTHALIDE INFOSINT SA (CH) 2003-02-13 WO disclosed
EP-1281708-A1 Process for the preparation of 5-Formylphthalide INFOSINT SA (CH) 2003-02-05 EP 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-20040225136-A1 Process for the preparation of 5-formylphthalide HTR5A, TPH1, HTR6 S100A4 1458/4885PPOX 192/4885CA12 2045/4885

“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.