SCHEMBL4028258

SCHEMBL4028258

CCCCCC1(O)OC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 4/20 0.41
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
LMNA P02545 4/20 0.40
GPR55 Q9Y2T6 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
TYMS P04818 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL21325292 0.95 NPSR1 (0.49) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL6271326 0.95 NPSR1 (0.49) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL29502553 0.95 NPSR1 (0.49) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL9502317 0.82 SMN1; SMN2 (0.47) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL547786 0.81 MEN1 (0.51) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL4926594 0.78 NPSR1 (0.49) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL28763781 0.78 MEN1 (0.52) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL10919713 0.77 MEN1 (0.46) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL21605709 0.77 ATM (0.41) NPSR1MEN1KMT2AL3MBTL1TDP1
SCHEMBL28709016 0.77 NPSR1 (0.51) NPSR1MEN1KMT2AL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482476-B2 Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide ADORKEM TECHNOLOGY SPA (IT) 2009-01-27 US disclosed
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
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
EP-1777221-A1 Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide Adorkem Technology SpA (IT) 2007-04-25 EP disclosed
CN-1948301-A Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide ADORKEM TECHNOLOGY SPA (IT) 2007-04-18 CN disclosed
CN-1948301-A Process for the preparation of 5-cyanophthalide starting from 5-carboxyphthalide ADORKEM TECHNOLOGY SPA (IT) 2007-04-18 CN 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 NPSR1 734/4885MEN1 4139/4885KMT2A 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.