SCHEMBL1506695

SCHEMBL1506695

OCc1nc2ccccc2cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 1/20 0.40
STAT3 P40763 1/20 0.40
IKBKB O14920 1/20 0.40
MGAM O43451 2/20 0.37
TLR8 Q9NR97 1/20 0.37
POLB P06746 1/20 0.36
HTR3A P46098 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NQO2 P16083 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL1506386 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL7927501 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL29370497 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL8878501 0.78 ALDH1A1 (0.55) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL27337754 0.77 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL18583409 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL28026772 0.76 ALDH1A1 (0.49) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL28278237 0.74 TLR8 (0.55) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL3501667 0.74 MAPT (0.53) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL5618416 0.74 ALDH1A1 (0.52) ALDH1A1MAPTHPGDGLAACHE

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-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-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
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 ALDH1A1 3603/4885MAPT 2376/4885HPGD 2538/4885

“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.