SCHEMBL1506677

SCHEMBL1506677

CC(C)CCOC(=O)c1nc2ccccc2cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL1506709 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDCYP1A2LMNA
SCHEMBL27673741 0.76 KDM4E (0.57) KDM4EALDH1A1HPGDHTTCYP1A2
SCHEMBL28561356 0.73 ALDH1A1 (0.50) KDM4EALDH1A1HTTLMNACYP3A4
SCHEMBL28050925 0.71 ALDH1A1 (0.59) KDM4EALDH1A1HPGDCYP1A2KMT2A
SCHEMBL29754649 0.69 TSHR (0.67) KDM4EALDH1A1HTTLMNACYP3A4
SCHEMBL204946 0.69 TSHR (0.67) KDM4EALDH1A1HTTLMNACYP3A4
SCHEMBL28561358 0.69 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHTTLMNA
SCHEMBL2409453 0.68 KDM4E (0.66) KDM4EALDH1A1HPGDCYP1A2LMNA
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL132524 0.68 LMNA (0.65) KDM4EALDH1A1LMNAPKMKMT2A
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL28250108 0.68 LMNA (0.65) KDM4EALDH1A1LMNAPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP TLR8 4008/4885KDM4E 2213/4885ALDH1A1 3603/4885

“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.