SCHEMBL1734823

SCHEMBL1734823

COc1ccc(COCC(C)(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
AGXT P21549 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CALM1 P0DP23 2/20 0.46
LMNA P02545 1/20 0.45
APP P05067 5/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL18552992 0.85 IDO1 (0.53) IDO1AGXTCA1CA2CALM1
SCHEMBL16085924 0.85 IDO1 (0.53) IDO1AGXTCA1CA2CALM1
SCHEMBL3793694 0.82 CA1 (0.47) IDO1AGXTCA1CA2CALM1
SCHEMBL23222113 0.80 IDO1 (0.48) IDO1AGXTCA1CA2CALM1
SCHEMBL22553006 0.80 CA1 (0.49) IDO1AGXTCA1CA2CALM1
SCHEMBL11987708 0.80 CA1 (0.49) IDO1AGXTCA1CA2CALM1
Methyl Alcohol SCHEMBL28823289 0.80 IDO1 (0.61) IDO1AGXTCA1CA2CALM1
SCHEMBL1691062 0.80 HTT (0.51) IDO1AGXTCA1CA2LMNA
SCHEMBL34413 0.80 IDO1 (0.67) IDO1AGXTCA1CA2CALM1
Bromide SCHEMBL29127969 0.79 IDO1 (0.47) IDO1AGXTCA1CA2CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 IDO1 4716/4885AGXT 627/4885CA1 4788/4885

“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.