SCHEMBL2352641

SCHEMBL2352641

COc1cc(OCCO)ccc1C=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MAOB P27338 2/20 0.55
ERN1 O75460 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
CYP1A2 P05177 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL7785542 0.89 ALDH1A1 (0.47) ALDH1A1MAOBERN1MAPT
SCHEMBL5882846 0.88 ALDH1A1 (0.65) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL20892596 0.86 ALDH1A1 (0.67) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL4059477 0.86 ALDH1A1 (0.67) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL18045690 0.86 ALDH1A1 (0.67) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL5143351 0.86 ALDH1A1 (0.67) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL12344082 0.84 ALDH1A1 (0.65) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL2651293 0.84 ALDH1A1 (0.65) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL426335 0.83 ALDH1A1 (0.63) ALDH1A1MAOBERN1L3MBTL1TRIM24
SCHEMBL5654410 0.83 ALDH1A1 (0.63) ALDH1A1MAOBERN1L3MBTL1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567315-B1 Method for synthesis of 4-OH substituted anabaseine derivative Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-02-14 US claimed
US-9567315-B1 Method for synthesis of 4-OH substituted anabaseine derivative Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-02-14 US disclosed
US-9567315-B1 Method for synthesis of 4-OH substituted anabaseine derivative Institute of Nuclear Energy Research, Atomic Energy Council, Executive Yuan, R.O.C. (TW) 2017-02-14 US disclosed
EP-2348859-B1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP disclosed
US-8354454-B2 Prodrugs of oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME LLC 2011-09-08 US disclosed
EP-2348859-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 EP disclosed
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 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-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS CETP, SLCO2B1, OXA1L ALDH1A1 2972/4885MAOB 1069/4885ERN1 2129/4885

“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.