SCHEMBL765839

SCHEMBL765839

CC(C)c1ccc(F)c(OCCO)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 8/20 0.39
BCHE P06276 6/20 0.39
IDO1 P14902 1/20 0.37

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
SCHEMBL26829097 0.88 HTT (0.42) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL765878 0.85 HTT (0.42) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL11994521 0.83 L3MBTL1 (0.43) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL8302733 0.81 SMN1; SMN2 (0.60) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL25605953 0.81 ALDH1A1 (0.43) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL10206356 0.81 HTT (0.46) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL13091269 0.80 TSHR (0.49) ACHEBCHE
SCHEMBL11951551 0.80 FDPS (0.52) ALDH1A1ACHEBCHE
SCHEMBL13091256 0.80 HTT (0.42) HTTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL16471627 0.80 L3MBTL1 (0.37) ALDH1A1LMNAL3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242975-B2 Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-02-12 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-8658651-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-25 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US 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 (9 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 HTT 4789/4885SMN1; SMN2 4316/4885ALDH1A1 153/4885
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 HTT 2867/4885SMN1; SMN2 4597/4885ALDH1A1 1722/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HTT 3632/4885SMN1; SMN2 4707/4885ALDH1A1 2353/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HTT 3632/4885SMN1; SMN2 4707/4885ALDH1A1 2353/4885
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK3, IRAK1 HTT 4798/4885SMN1; SMN2 3095/4885ALDH1A1 3721/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 HTT 4670/4885SMN1; SMN2 2377/4885ALDH1A1 4086/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HTT 3632/4885SMN1; SMN2 4707/4885ALDH1A1 2353/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HTT 3632/4885SMN1; SMN2 4707/4885ALDH1A1 2353/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 HTT 2536/4885SMN1; SMN2 4536/4885ALDH1A1 2112/4885

“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.