SCHEMBL4567673

SCHEMBL4567673

Cc1ccc(OC2CC(=O)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 2/20 0.35
GLA P06280 1/20 0.35
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.34
MAOB P27338 2/20 0.34
SIRT2 Q8IXJ6 2/20 0.34
ALDH2 P05091 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL13130992 0.91 HPGD (0.33) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL1930873 0.82 DDB1 (0.44) HPGDALDH1A1ALDH2
SCHEMBL13131098 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13131104 0.78 CTRB1 (0.37) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL13130988 0.76 DDB1 (0.34) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL13131053 0.76 DDB1 (0.34) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL24279365 0.74 SCN1A (0.46) HPGDALDH1A1MAPTKMT2AHTT
SCHEMBL12906776 0.73 NPC1 (0.33) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL13131164 0.73 ACHE (0.31) ALDH1A1
SCHEMBL10174373 0.72 SMN1; SMN2 (0.43) HPGDALDH1A1MAPTMAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045414-B2 Pyrrolidin-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-02 US disclosed
US-9045414-B2 Pyrrolidin-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-02 US disclosed
EP-2346852-B1 PYRROLIDIN-2-ONES AS HDM2 LIGANDS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES PRIAXON AG (DE) 2012-05-17 US disclosed
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES PRIAXON AG (DE) 2012-05-17 US disclosed
US-8119623-B2 Pyrrolidin-2-ones PRIAXON AG (DE) 2012-02-21 US disclosed
US-8119623-B2 Pyrrolidin-2-ones PRIAXON AG (DE) 2012-02-21 US disclosed
US-20100075949-A1 NOVEL PYRROLIDIN-2-ONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100075949-A1 NOVEL PYRROLIDIN-2-ONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
WO-2010028862-A1 PYRROLIDIN-2-ONES AS HDM2 LIGANDS PRIAXON AG (DE) 2010-03-18 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 (2 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-20100075949-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 HPGD 1000/4885ALDH1A1 1442/4885MAPT 623/4885
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 HPGD 1000/4885ALDH1A1 1442/4885MAPT 623/4885

“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.