SCHEMBL532778

SCHEMBL532778

CC(C)c1ccc(Cl)c(OBOc2cc(C(C)C)ccc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TRPA1 O75762 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ BCHE P06276 3/20 0.33
▸ ACHE P22303 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TYR P14679 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL1104690 0.80 ALDH1A1 (0.47) SMN1; SMN2MAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL13715960 0.78 CSNK2A1 (0.43) LMNATRPA1PTGS1CACNA1CAKR1C3
SCHEMBL130865 0.77 ACHE (0.46) LMNASMN1; SMN2MAPTBCHEACHE
SCHEMBL19120979 0.77 ACHE (0.36) LMNASMN1; SMN2MAPTTRPA1PTGS1
SCHEMBL14827558 0.76 GRIN2B (0.45) —
SCHEMBL14039594 0.76 TP53 (0.46) LMNASMN1; SMN2MAPTBCHEACHE
SCHEMBL19122095 0.76 RXRA (0.38) LMNASMN1; SMN2MAPTTRPA1PTGS1
SCHEMBL12810146 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL17658863 0.74 ALDH1A1 (0.42) LMNASMN1; SMN2MAPTBCHEACHE
SCHEMBL4474308 0.74 MAPT (0.49) LMNASMN1; SMN2MAPTACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 — — US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 — — US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 — — EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 — — EP disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 — — US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 — — US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 — — EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 — — US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 — — 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 (4 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP LMNA 449/4885SMN1; SMN2 4859/4885MAPT 3011/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP LMNA 449/4885SMN1; SMN2 4859/4885MAPT 3011/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP LMNA 449/4885SMN1; SMN2 4859/4885MAPT 3011/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP LMNA 449/4885SMN1; SMN2 4859/4885MAPT 3011/4885

“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.

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