SCHEMBL3945895

SCHEMBL3945895

O=C1OC(C(=O)Cl)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1408521 0.82 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AGLAHSD17B10
Benzene SCHEMBL27977946 0.82 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL5155844 0.82 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL28249684 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL6086661 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL28360990 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL31058267 0.79 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AGLAHSD17B10
Lithium Ion SCHEMBL6086653 0.79 MAPT (0.47) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL2145539 0.77 MAPT (0.45) ALDH1A1MAPTKMT2AGLAHSD17B10
SCHEMBL10827381 0.77 MAPT (0.45) ALDH1A1MAPTKMT2AGLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888010-B2 Process for the preparation of 5-formylphthalide INFOSINT SA (CH) 2005-05-03 US claimed
US-7482476-B2 Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide ADORKEM TECHNOLOGY SPA (IT) 2009-01-27 US disclosed
US-20070117991-A1 Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide ADORKEM TECHNOLOGY SPA (IT) 2007-05-24 US disclosed
EP-1777221-A1 Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide Adorkem Technology SpA (IT) 2007-04-25 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-20070117991-A1 Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide HTR5A, TPH1, TPH2 ALDH1A1 625/4885MAPT 2096/4885KMT2A 1994/4885

“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.