SCHEMBL1760451

SCHEMBL1760451

CC(C)(C)OC(=O)n1c(C=O)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.54
NR1H3 Q13133 3/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL30356579 1.00 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL23631434 0.89 NR1H2 (0.54) NR1H2NR1H3CA12CA9
SCHEMBL15232130 0.87 NR1H2 (0.53) NR1H2NR1H3CA12CA9
SCHEMBL31620901 0.84 NR1H2 (0.55) NR1H2NR1H3CA12CA9
SCHEMBL23928895 0.82 CCNB2 (0.41) NR1H2NR1H3CA12CA9
SCHEMBL13237432 0.82 NR1H2 (0.41) NR1H2NR1H3CA12CA9
SCHEMBL4037148 0.81 CYP2A6 (0.38) NR1H2NR1H3CA12CA9
SCHEMBL5713778 0.81 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL17022654 0.81 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL30711377 0.81 NR1H2 (0.57) NR1H2NR1H3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515699-A Hirsutine alkaloid boric acid derivative and preparation method and application thereof 中国海洋大学 2024-08-20 CN disclosed
CN-117986254-A Hirsutine alkaloid derivative, and preparation method and application thereof 中国海洋大学 2024-05-07 CN disclosed
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
CN-115811977-A Allosteric EGFR inhibitors and methods of use thereof 达纳-法伯癌症研究所股份有限公司 2023-03-17 CN disclosed
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
WO-2021252661-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-16 WO disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
EP-3022177-B1 INDOLE-3-CARBINOL DERIVATIVES CADILA PHARMACEUTICALS LTD (IN) 2018-03-28 EP disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9708258-B2 Indole 3-carbinol derivatives CADILA PHARMACEUTICALS, LTD. (IN) 2017-07-18 US disclosed
US-9518022-B2 Anti-HIV compounds PROSETTA ANTIVIRAL INC. (US) 2016-12-13 US disclosed
WO-2016100391-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. (US) 2016-06-23 WO disclosed
US-20160168100-A1 ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20160159740-A1 INDOLE-3-CARBINOL DERIVATIVES CADILA PHARMACEUTICALS LTD. (IN) 2016-06-09 US disclosed
EP-3022177-A1 INDOLE-3-CARBINOL DERIVATIVES Cadila Pharmaceuticals Ltd. (IN) 2016-05-25 EP disclosed
WO-2015008202-A1 INDOLE-3-CARBINOL DERIVATIVES CADILA PHARMACEUTICALS LIMITED (IN) 2015-01-22 WO disclosed
WO-2011057959-A1 INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 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 (8 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT NR1H2 2067/4885NR1H3 2029/4885CA12 4883/4885
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 NR1H2 4499/4885NR1H3 4343/4885CA12 2975/4885
US-20160168100-A1 ANTI-HIV COMPOUNDS MAVS, SARS1, NFATC1 NR1H2 837/4885NR1H3 614/4885CA12 4880/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS NR1H2 4602/4885NR1H3 4425/4885CA12 1945/4885
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 NR1H2 1965/4885NR1H3 1942/4885CA12 3949/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 NR1H2 4499/4885NR1H3 4343/4885CA12 2975/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT NR1H2 2067/4885NR1H3 2029/4885CA12 4883/4885
US-20160159740-A1 INDOLE-3-CARBINOL DERIVATIVES IDO1, IDO2, TPH1 NR1H2 664/4885NR1H3 784/4885CA12 3035/4885

“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.