SCHEMBL4154250

SCHEMBL4154250

CCC(C)OC(=O)C(=CNc1ccccc1F)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
DHODH Q02127 2/20 0.43
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11201864 0.86 GAA (0.44) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL7432049 0.86 PKM (0.43) GAADHODHPOLBSMN1; SMN2ALDH1A1
SCHEMBL1245810 0.85 GAA (0.43) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL4147861 0.85 GAA (0.43) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL4740015 0.85 POLB (0.44) GAADHODHPOLBCYP3A4CYP2D6
SCHEMBL7451703 0.84 SMN1; SMN2 (0.50) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL395325 0.83 DHODH (0.46) GAADHODHSMN1; SMN2ALDH1A1NPC1
SCHEMBL11198146 0.82 GAA (0.41) GAADHODHCYP3A4CYP2D6LMNA
SCHEMBL2654421 0.82 EPHX2 (0.42) GAADHODHPOLBCYP3A4CYP2D6
SCHEMBL4739345 0.81 MAPT (0.47) GAADHODHPOLBLMNASMN1; SMN2

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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 GAA 1404/4885DHODH 361/4885POLB 2092/4885

“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.