SCHEMBL11920084

SCHEMBL11920084

COCC(=O)CCC(=O)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP2C19 P33261 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ PLOD2 O00469 2/20 0.44
▸ PLOD3 O60568 2/20 0.44
▸ PLOD1 Q02809 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CTNNB1 P35222 3/20 0.44
▸ WNT3A P56704 3/20 0.44
▸ MMP1 P03956 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ ALPI P09923 1/20 0.40

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
SCHEMBL31407204 0.83 L3MBTL1 (0.56) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2
SCHEMBL8535125 0.82 ALDH1A1 (0.61) L3MBTL1CYP2C19ALDH1A1CYP1A2CYP3A4
SCHEMBL15988710 0.81 CYP2C19 (0.61) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2
SCHEMBL27755450 0.79 ALDH1A1 (0.52) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2
SCHEMBL9195700 0.74 ALDH1A1 (0.77) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2
SCHEMBL10843960 0.74 NR4A2 (0.65) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2
Propyl 4-Pyridyl Ketone SCHEMBL4952700 0.74 HSD17B3 (0.61) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2
SCHEMBL6160053 0.72 ALDH1A1 (0.48) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2
SCHEMBL15969141 0.72 CTNNB1 (0.72) CYP2C19ALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL7977170 0.72 CTNNB1 (0.54) L3MBTL1CYP2C19ALDH1A1CYP1A2PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 — — US disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 — — 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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 L3MBTL1 4716/4885CYP2C19 1047/4885ALDH1A1 1296/4885

“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.

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