SCHEMBL5872496

SCHEMBL5872496

CCCCCC1C(=O)CCC1C(C(=O)OC)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 7/20 0.45
▸ PTGER4 P35408 3/20 0.45
▸ PTGER3 P43115 3/20 0.45
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TLR4 O00206 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ DAGLA Q9Y4D2 1/20 0.36
▸ ZDHHC7 Q9NXF8 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ DNTT P04053 1/20 0.35
▸ GALR3 O60755 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL11417780 0.93 PTGER2 (0.43) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL18088606 0.90 THRB (0.41) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL28670909 0.88 PTGER2 (0.44) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL25893275 0.85 TSHR (0.42) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL25893304 0.85 TSHR (0.42) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL9623743 0.84 PTGER2 (0.49) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL5872360 0.84 PTGER2 (0.45) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL11320998 0.83 PTGER2 (0.39) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL11834690 0.82 PTGER2 (0.38) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL5236766 0.80 PTGER2 (0.41) PTGER2PTGER4PTGER3HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59084843-A — — None — — JP disclosed
JP-55120540-A — — None — — JP disclosed
CN-114349640-B Synthesis method of methyl dihydrojasmonate or intermediate thereof and catalyst used in synthesis method 山东新和成药业有限公司 2024-03-22 — — CN disclosed
WO-2023063030-A1 COMPOUND PRODUCING METHOD INCLUDING STEP FOR ISOMERIZING α,β-UNSATURATED KETONE 花王株式会社 2023-04-20 — — WO disclosed
CN-114349640-A Synthesis method of methyl dihydrojasmonate or intermediate thereof and catalyst used in synthesis method 山东新和成药业有限公司 2022-04-15 — — CN disclosed
US-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-01-08 — — US disclosed
US-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-01-08 — — US disclosed
WO-2013150197-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-10-10 — — WO disclosed
EP-1498407-B1 Method of producing acetate derivative KAO CORP (JP) 2012-09-05 — — EP disclosed
US-7078559-B2 Method of producing acetate derivative KAO CORPORATION (JP) 2006-07-18 — — US disclosed
US-20050014968-A1 Method of producing acetate derivative KAO CORPORATION (JP) 2005-01-20 — — US disclosed
EP-1498407-A1 Method of producing acetate derivative Kao Corporation (JP) 2005-01-19 — — EP disclosed
JP-S5984843-A PREPARTION OF MICHAEL ADDITION PRODUCT NIPPON ZEON CO LTD 1984-05-16 — — JP disclosed
JP-S55120540-A PREPARATION OF 2-SUBSTITUTED-3-OXO-CYCLOPENTYLACETIC ACID ESTER NIPPON ZEON CO LTD 1980-09-17 — — JP 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 (2 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-20150011749-A1 USE OF CERTAIN METAL-ACCUMULATING PLANTS FOR THE PERFORMANCE OF ORGANIC CHEMISTRY REACTIONS ME1, OSGEP, AGL PTGER2 4401/4885PTGER4 4558/4885PTGER3 4566/4885
US-20050014968-A1 Method of producing acetate derivative DECR1, CYP51A1, DECR2 PTGER2 1768/4885PTGER4 1625/4885PTGER3 1210/4885

“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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