SCHEMBL4150774

SCHEMBL4150774

CCC(C)OC(=O)C(=CNc1cccc(F)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.40
MTOR P42345 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.37
HPGD P15428 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
SCHEMBL395325 0.86 DHODH (0.46) DHODHGAAKDM4EMAPTNPC1
SCHEMBL11631229 0.86 MAPT (0.50) DHODHMEN1KMT2AGAAKDM4E
SCHEMBL846105 0.85 MAPT (0.45) DHODHMEN1KMT2AGAAKDM4E
SCHEMBL4742568 0.85 SMN1; SMN2 (0.48) DHODHMEN1KMT2AATMGAA
SCHEMBL4742578 0.82 POLB (0.46) DHODHMEN1KMT2AMAPTNPC1
SCHEMBL7432049 0.81 PKM (0.43) DHODHMEN1KMT2AGAANPC1
SCHEMBL10679582 0.79 DHODH (0.36) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5046716 0.79 DHODH (0.58) DHODHMEN1KMT2AGAAKDM4E
SCHEMBL5295057 0.79 GAA (0.47) DHODHMEN1KMT2AGAAKDM4E
SCHEMBL4154250 0.79 GAA (0.43) DHODHMEN1KMT2AGAAMAPT

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 DHODH 361/4885MEN1 4656/4885KMT2A 3024/4885

“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.