SCHEMBL12464330

SCHEMBL12464330

CCCCOC(=O)N1C(C(C)C)COC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GBA2 Q9HCG7 1/20 0.35
IDH1 O75874 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 2/20 0.32
IL6ST P40189 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
PRKCA P17252 2/20 0.31

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
SCHEMBL12164706 0.82 LMNA (0.43) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17202888 0.82 LMNA (0.39) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17202889 0.82 LMNA (0.39) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL6235951 0.80 SPHK1 (0.47) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL12164742 0.80 SPHK1 (0.47) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL30537524 0.77 SPHK1 (0.41) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL2319591 0.76 LMNA (0.39) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17224247 0.76 LMNA (0.39) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL12164689 0.76 SPHK1 (0.43) SPHK1SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL30174790 0.74 SPHK1 (0.41) SPHK1SMN1; SMN2LMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985860-B2 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives SCHERING CORPORATION (US) 2011-07-26 US disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 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 (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-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives PDE4B, PDE4A, PDE3B SPHK1 2938/4885SMN1; SMN2 4433/4885LMNA 2835/4885

“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.