SCHEMBL2997359

SCHEMBL2997359

CCOC(=O)c1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
ESR2 Q92731 2/20 0.59
CA12 O43570 1/20 0.59
ESR1 P03372 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
LMNA P02545 2/20 0.58
MAOA P21397 1/20 0.58

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
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL203475 0.94 CA1 (0.66) MAPTL3MBTL1MEN1KMT2ACYP1A2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL27605414 0.93 CA1 (0.63) MAPTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL5612948 0.89 MAPT (0.59) MAPTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL5837526 0.89 MAPT (0.59) MAPTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL16351874 0.89 CA1 (0.73) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1965326 0.89 CA1 (0.73) MAPTMEN1KMT2ACYP1A2CYP3A4
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL30129677 0.88 MAPT (0.62) MAPTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8206092 0.88 PRSS1 (0.62) MAPTL3MBTL1MEN1KMT2ACYP1A2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL10937413 0.88 CA1 (0.69) MAPTL3MBTL1MEN1KMT2ACYP1A2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL28010139 0.86 MAPT (0.57) MAPTL3MBTL1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372544-B Iron-catalyzed synthesis method of biaryl and derivatives thereof 北京师范大学 2020-08-18 CN disclosed
US-20160109761-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD FOR MANUFACTURING SAME MERCK PATENT GMBH (DE) 2016-04-21 US disclosed
US-20150092145-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD FOR MANUFACTURING SAME SHARP KABUSHIKI KAISHA (JP) 2015-04-02 US disclosed
WO-2012085170-A2 PROCESS FOR MAKING ORGANOBORON COMPOUNDS, PRODUCTS OBTAINABLE THEREBY, AND THEIR USE HAAG BENJAMIN (DE) 2012-06-28 WO disclosed
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines SALTIGO GMBH (DE) 2010-07-22 US disclosed
US-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US disclosed
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 US disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 WO disclosed
WO-2007031511-A1 NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES SALTIGO GMBH (DE) 2007-03-22 WO disclosed
EP-1381370-B1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH CORP (US) 2007-03-07 EP disclosed
US-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 US disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 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 (7 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 MAPT 4002/4885L3MBTL1 4004/4885MEN1 2603/4885
US-20090227565-A1 Biphenyl Vasopressin Agonists AVPR2, AVPR1B, SSTR3 MAPT 4510/4885L3MBTL1 2512/4885MEN1 427/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 MAPT 4510/4885L3MBTL1 2512/4885MEN1 427/4885
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES HAVCR2, HCCS, HMBS MAPT 1435/4885L3MBTL1 2865/4885MEN1 2681/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A MAPT 4370/4885L3MBTL1 1623/4885MEN1 625/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 MAPT 4510/4885L3MBTL1 2512/4885MEN1 427/4885
US-20100184977-A1 Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines MON2, ZRANB2, GRIA2 MAPT 3794/4885L3MBTL1 2153/4885MEN1 331/4885

“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.