SCHEMBL8302733

SCHEMBL8302733

Cc1ccc(C(C)C)cc1OCCO

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
ACHE P22303 11/20 0.57
BCHE P06276 8/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TRPA1 O75762 1/20 0.47
PTGS1 P23219 1/20 0.47
CACNA1C Q13936 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL8302730 0.86 HTT (0.46) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL30711781 0.86 HTT (0.46) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL31606945 0.86 ACHE (0.60) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL22911500 0.84 SMN1; SMN2 (0.61) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL9500076 0.83 SMN1; SMN2 (0.60) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL12778520 0.83 LMNA (0.61) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL25605953 0.83 ALDH1A1 (0.43) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL765839 0.81 HTT (0.41) SMN1; SMN2HTTACHEBCHEL3MBTL1
SCHEMBL11951551 0.81 FDPS (0.52) ACHEBCHEALDH1A1MAPT
SCHEMBL29654960 0.80 ACHE (0.63) SMN1; SMN2HTTACHEBCHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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-20090035313-A1 Compounds NQO1, NAMPT, NNT SMN1; SMN2 2287/4885HTT 2890/4885ACHE 2416/4885

“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.