SCHEMBL1736099

SCHEMBL1736099

CC(C)OCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
MAPT P10636 2/20 0.35
SRD5A2 P31213 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RARB P10826 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1736350 0.88 NOTUM (0.42) F2KMT2AMAPK1KDM4ETP53
SCHEMBL9320408 0.85 CA12 (0.40) KMT2AMAPK1KDM4ETP53MAPT
SCHEMBL1242165 0.85 F2 (0.41) F2KMT2ATP53PTGESALOX5
SCHEMBL4554439 0.81 MEN1 (0.40) F2KMT2ATP53PKMPTGES
SCHEMBL29143436 0.80 LTB4R2 (0.44) TP53PTGESALOX5MAPTRARB
SCHEMBL12719411 0.79 ALDH1A1 (0.42) KMT2ARXRARXRBRXRGPTGES
SCHEMBL9319803 0.79 NPC1 (0.44) KMT2AMAPK1KDM4ERXRARXRB
SCHEMBL4838543 0.76 MLYCD (0.43) F2KMT2APTGESALOX5MAPT
SCHEMBL18260618 0.75 F2 (0.44) F2KMT2AMAPK1RXRARXRB
SCHEMBL31363214 0.75 KCNQ4 (0.38) KMT2ARXRARXRBRXRGPTGES

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 F2 2347/4885KMT2A 3692/4885MAPK1 3196/4885

“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.