SCHEMBL104194

SCHEMBL104194

CC(=O)c1cccc(OC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAOB P27338 8/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
KAT6A Q92794 1/20 0.51
ALOX12 P18054 1/20 0.51
MAOA P21397 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NFKB1 P19838 1/20 0.49

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
SCHEMBL5231369 0.87 KMT2A (0.54) KMT2AMEN1GAAHTTNPC1
SCHEMBL6322882 0.86 KMT2A (0.61) KMT2AMEN1GAAHTTNPC1
SCHEMBL16956908 0.86 KMT2A (0.57) KMT2AMEN1GAAHTTNPC1
SCHEMBL10989419 0.85 KMT2A (0.53) KMT2AMEN1GAAHTTNPC1
SCHEMBL592781 0.85 RXRA (0.68) KMT2AMEN1GAAHTTNPC1
SCHEMBL11798200 0.85 KMT2A (0.64) KMT2AMEN1GAAHTTNPC1
SCHEMBL30184304 0.85 RXRA (0.68) KMT2AMEN1GAAHTTNPC1
SCHEMBL4104707 0.84 KMT2A (0.65) KMT2AMEN1GAAHTTNPC1
SCHEMBL15329830 0.84 MAOB (0.54) KMT2AMEN1GAANPC1RAB9A
SCHEMBL2277217 0.83 KMT2A (0.54) KMT2AMEN1GAAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
EP-2927218-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-07 EP disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
US-6939895-B2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-09-06 US disclosed
US-6750255-B2 SUCH AS (R)-N-(1-(1'-NAPHTHYL)ETHYL)-2-(2',5'-DICHOROPHENYL THIO)ETHYLAMINE; FOR STIMULATION OF SECRETION OF PARATHYROID HORMONE NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20030176485-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2003-09-18 US disclosed
US-20030144526-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. 2003-07-31 US disclosed
US-20020107406-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-08-08 US disclosed
US-6362231-B1 MODULATOR OF PARATHYROID HORMONE; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. 2002-03-26 US disclosed
EP-0933354-A1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KIRIN BEER KABUSHIKI KAISHA (JP) 1999-08-04 EP 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 (4 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-20030144526-A1 Calcium receptor-active compounds CASR, CALCR, CNR1 KMT2A 2797/4885MEN1 3590/4885GAA 4789/4885
US-20030176485-A1 Calcium receptor active compounds CASR, CNR1, CALCR KMT2A 2794/4885MEN1 3754/4885GAA 4766/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 KMT2A 3088/4885MEN1 2260/4885GAA 151/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 KMT2A 3298/4885MEN1 2138/4885GAA 4133/4885

“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.