SCHEMBL4638591

SCHEMBL4638591

CCCCC(=O)c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
CTNNB1 P35222 2/20 0.57
WNT3A P56704 2/20 0.57
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
PARP1 P09874 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL4884718 0.94 THRA (0.60) CES2CES1CTNNB1WNT3ATHRA
SCHEMBL7315752 0.94 THRA (0.60) CES2CES1CTNNB1WNT3ATHRA
SCHEMBL10736335 0.94 THRA (0.60) CES2CES1CTNNB1WNT3ATHRA
SCHEMBL4637827 0.90 CES2 (0.62) CES2CES1CTNNB1WNT3APARP1
SCHEMBL28188567 0.86 PDE4B (0.67) CES2CES1CTNNB1WNT3APARP1
SCHEMBL4884872 0.86 PDE4B (0.62) CES2CES1CTNNB1WNT3APARP1
SCHEMBL3138472 0.86 CES2 (0.57) CES2CES1CTNNB1WNT3APARP1
SCHEMBL23014369 0.84 EPHX2 (0.58) GAAMAPTMTNR1BMTNR1A
SCHEMBL3302845 0.84 CES2 (0.56) CES2CES1CTNNB1WNT3APARP1
SCHEMBL4889161 0.84 CES2 (0.56) CES2CES1CTNNB1WNT3APARP1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3061756-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-11-14 EP disclosed
EP-3166923-A1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES Mallinckrodt LLC (US) 2017-05-17 EP disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-9556108-B2 Process for preparing substituted phenylalkanes MALLINCKRODT LLC (US) 2017-01-31 US disclosed
EP-3061756-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2016-08-31 EP disclosed
EP-3061756-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2016-08-31 EP disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
EP-1951216-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
EP-1951041-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062145-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062190-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 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-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 CES2 2030/4885CES1 2104/4885CTNNB1 2447/4885

“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.