SCHEMBL4637871

SCHEMBL4637871

CCCCC(=O)c1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.62
HTR7 P34969 1/20 0.51
CTNNB1 P35222 1/20 0.51
HTT P42858 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PARP1 P09874 1/20 0.48

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
SCHEMBL10632540 0.95 HSD17B3 (0.64) HSD17B3CTNNB1HTTALDH1A1MEN1
SCHEMBL2026598 0.89 HSD17B3 (0.60) HSD17B3CTNNB1CA12CA1CA2
SCHEMBL10482996 0.89 HSD17B3 (0.60) HSD17B3HTR7HTTALDH1A1MEN1
SCHEMBL28310663 0.84 CTNNB1 (0.53) CTNNB1CA12CA1CA2CA6
SCHEMBL3896481 0.82 OGG1 (0.58) HSD17B3HTR7ALDH1A1MEN1MAPT
SCHEMBL4931177 0.82 CTNNB1 (0.56) HSD17B3HTR7CTNNB1ALDH1A1MAPT
SCHEMBL6259203 0.82 CTNNB1 (0.55) CTNNB1CA12CA1CA2CA6
SCHEMBL3943135 0.82 HDAC1 (0.65) CTNNB1CA12CA1CA2CA6
SCHEMBL29315332 0.82 HSD17B3 (0.53) HSD17B3HTR7ALDH1A1MAPT
SCHEMBL27547875 0.82 HSD17B3 (0.53) HSD17B3HTR7MAPTKMT2A

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 19 patents. 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
US-9914695-B2 Two-step process for preparing 3-substituted phenylalkylamines MALLINCKRODT LLC (US) 2018-03-13 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-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US 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
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
WO-2015060461-A1 TETRAZOLINONE COMPOUND AND USE THEREOF 住友化学株式会社 2015-04-30 WO disclosed
CN-103119049-A Organic phosphorus compound and method for producing same UBE INDUSTRIES 2013-05-22 CN disclosed
CN-101437395-A Chemical compounds SMITHKLINE BEECHAM CORP (US) 2009-05-20 CN disclosed
CN-101370380-A Chemical compounds SMITHKLINE BEECHAM CORP (US) 2009-02-18 CN disclosed
US-20080306036-A1 Triphenylethylene Compounds Useful as Selective Estrogen Modulators SMITHKLINE BEECHAM CORPORATION 2008-12-11 US disclosed
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 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-2007062190-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062145-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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 (3 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-20080306036-A1 Triphenylethylene Compounds Useful as Selective Estrogen Modulators ESR2, GPER1, ESR1 HSD17B3 98/4885HTR7 741/4885CTNNB1 3315/4885
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG HSD17B3 99/4885HTR7 595/4885CTNNB1 3727/4885
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 HSD17B3 670/4885HTR7 2072/4885CTNNB1 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.