SCHEMBL6380843

SCHEMBL6380843

COc1ccc(CCNC(=O)Cc2ccccc2)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
KMT2A Q03164 5/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
HTT P42858 1/20 0.67
PLAAT3 P53816 1/20 0.66
PLAAT5 Q96KN8 1/20 0.66
PLAAT2 Q9NWW9 1/20 0.66
PLAAT4 Q9UL19 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
TAAR1 Q96RJ0 1/20 0.64
MEN1 O00255 2/20 0.63
CA12 O43570 1/20 0.63
CA9 Q16790 1/20 0.63

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
SCHEMBL9313075 0.95 KMT2A (0.70) ALDH1A1CA1CA2KMT2APOLB
SCHEMBL5094513 0.94 SMN1; SMN2 (0.75) ALDH1A1CA1CA2KMT2APOLB
SCHEMBL248400 0.92 CA1 (0.79) CA1CA2KMT2AMAPTMEN1
SCHEMBL30738251 0.92 CA1 (0.79) CA1CA2KMT2AMAPTMEN1
SCHEMBL5096740 0.91 KMT2A (0.67) ALDH1A1CA1CA2KMT2APOLB
SCHEMBL7272858 0.91 TAAR1 (0.74) ALDH1A1KMT2APOLBMAPTHTT
SCHEMBL6376361 0.90 ALDH1A1 (0.73) ALDH1A1CA1CA2KMT2APOLB
SCHEMBL6377560 0.90 ALDH1A1 (0.73) ALDH1A1CA1CA2KMT2APOLB
SCHEMBL6376395 0.90 MTNR1A (0.71) ALDH1A1CA1CA2KMT2APOLB
SCHEMBL28633243 0.90 CA1 (0.65) CA1CA2KMT2APOLBTAAR1

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-109071446-B Organic reaction in aqueous solution in the presence of hydroxyalkyl (alkyl) cellulose or alkylcellulose 艾伯维德国有限责任两合公司 2022-06-21 CN disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
EP-3408258-B1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE DEUTSCHLAND (DE) 2020-07-01 EP disclosed
EP-3408258-B1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE DEUTSCHLAND (DE) 2020-07-01 EP disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
WO-2017129796-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2017-08-03 WO disclosed
CN-100393703-C 1,2,3,4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-06-11 CN disclosed
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
CN-1416420-A 1,2,3, 4-tetrahydroisoquinoline derivatives ACTELION PHARMACEUTICALS LTD (CH) 2003-05-07 CN disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 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 (6 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-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL ALDH1A1 1595/4885CA1 3472/4885CA2 2169/4885
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL ALDH1A1 1595/4885CA1 3472/4885CA2 2169/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL ALDH1A1 1595/4885CA1 3472/4885CA2 2169/4885
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R ALDH1A1 1115/4885CA1 2487/4885CA2 1619/4885
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL ALDH1A1 1595/4885CA1 3472/4885CA2 2169/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL ALDH1A1 1595/4885CA1 3472/4885CA2 2169/4885

“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.