SCHEMBL4303187

SCHEMBL4303187

O=C(O)CCCC=CCC=CCC=CCC=CCCCCCc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ AKR1B10 O60218 6/20 0.42
▸ AKR1B1 P15121 6/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ MIF P14174 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GLA P06280 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B3 P37058 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
SCHEMBL4292453 1.00 POLB (0.43) POLBAKR1B10AKR1B1EPHX2MIF
SCHEMBL2886569 0.98 EPHX2 (0.45) POLBAKR1B10AKR1B1EPHX2MIF
SCHEMBL29569054 0.82 MMP2 (0.54) AKR1B1EPHX2HPGDMEN1KMT2A
SCHEMBL9436016 0.81 KDM4E (0.54) POLBAKR1B10AKR1B1MIFKDM4E
SCHEMBL4292444 0.77 MIF (0.44) AKR1B10AKR1B1MIFKDM4EALDH1A1
Arachidonic Acid SCHEMBL28529406 0.77 ALDH1A1 (0.56) AKR1B1EPHX2KDM4EALDH1A1HPGD
SCHEMBL4251337 0.76 HSD17B3 (0.54) POLBMIFKDM4EALDH1A1HPGD
Water SCHEMBL27385678 0.75 HSD17B3 (0.52) POLBMIFKDM4EALDH1A1HPGD
SCHEMBL4527127 0.75 HSD17B3 (0.55) POLBAKR1B10AKR1B1MIFKDM4E
SCHEMBL27844746 0.73 GAA (0.58) POLBAKR1B10AKR1B1MIFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311723-A1 FLUORESCENCE-BASED ASSAY FOR MONOACYLGLYCEROL LIPASE COMPATIBLE WITH INHIBITOR SCREENING WYETH (US) 2009-12-17 — — 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-20090311723-A1 FLUORESCENCE-BASED ASSAY FOR MONOACYLGLYCEROL LIPASE COMPATIBLE WITH INHIBITOR SCREENING MGLL, LIPC, LIPA POLB 4665/4885AKR1B10 1017/4885AKR1B1 923/4885

“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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