SCHEMBL827892

SCHEMBL827892

CCOC(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ENPP2 Q13822 1/20 0.58
MAOA P21397 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
HCRTR1 O43613 2/20 0.51
RAB9A P51151 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL29012860 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10ENPP2
SCHEMBL31094660 0.88 MAOA (0.67) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL1222893 0.88 MAOA (0.67) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL28756834 0.87 ESR1 (0.55) ALDH1A1KDM4EHPGDHSD17B10ENPP2
Hydrochloric Acid SCHEMBL28263903 0.86 MAOA (0.65) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL1513359 0.86 JAK2 (0.53) HPGDJAK2JAK3POLBTP53
SCHEMBL3578515 0.86 MAOA (0.65) ALDH1A1KDM4EHSD17B10MAOATAS1R3
SCHEMBL27683925 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10ENPP2
SCHEMBL4921487 0.83 MAOA (0.68) ALDH1A1MAOACA12CA1CA2
SCHEMBL13516358 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470926-A Substituted pyrrolopyrimidines Bayer Pharma AG 2015-03-25 CN claimed
CN-116253673-B Indole sulfonated monomer, indole sulfonated polymer, proton exchange membrane and preparation method thereof 南阳师范学院 2024-10-18 CN disclosed
CN-116283722-B Preparation method of 2- (2' -aminophenyl) carbazole compound under acidic condition 重庆医科大学 2024-06-11 CN disclosed
US-20230257355-A1 HYDROXAMIC ACID-CONTAINING COMPOUND, AND PREPARATION METHOD AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-08-17 US disclosed
US-20230257355-A1 HYDROXAMIC ACID-CONTAINING COMPOUND, AND PREPARATION METHOD AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-08-17 US disclosed
CN-116283722-A Preparation method of 2- (2' -aminophenyl) carbazole compound under acidic condition 重庆医科大学 2023-06-23 CN disclosed
CN-116253673-A Indole sulfonated monomer, indole sulfonated polymer, proton exchange membrane and preparation method thereof 南阳师范学院 2023-06-13 CN disclosed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN disclosed
EP-2669270-B1 INDOLE-RELATED COMPOUNDS AS URAT1 INHIBITORS SATO PHARMA (JP) 2018-01-03 EP disclosed
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 US disclosed
EP-1379239-B1 N-(2-ARYLETHYL) BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2007-09-12 EP disclosed
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR CHEN ZHAOGEN 2007-05-03 US disclosed
US-7157488-B2 N-(2-Arylethyl) benzylamines as antagonists of the 5-HT6 receptor ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN 2006-01-12 US disclosed
US-20050178659-A1 Copolymer compound and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2005-08-18 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
CN-1610547-A N-(2-arylethyl)benzylamines as antagonists of the 5-HT6 receptor LILLY CO ELI (US) 2005-04-27 CN disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-5538973-A ANTIHISTAMINE, THROMBOXANE A2 ANTAGONIST KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0597112-A1 NOVEL IMIDAZOLE DERIVATIVE, PHARMACEUTICAL USE THEREOF, AND INTERMEDIATE THEREFOR Kyoto Pharmaceutical Industries, Ltd. (JP) 1994-05-18 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-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS ALDH1A1 3867/4885KDM4E 2745/4885HPGD 3680/4885
US-20060009511-A9 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR2C, HTR1B ALDH1A1 1218/4885KDM4E 1970/4885HPGD 1442/4885
US-20230257355-A1 HYDROXAMIC ACID-CONTAINING COMPOUND, AND PREPARATION METHOD AND USE THEREOF SI, SCD, SMPD1 ALDH1A1 1686/4885KDM4E 792/4885HPGD 704/4885
US-20070099909-A1 N-(2-ARYLETHYL)BENZYLAMINES AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR2C, HTR1B ALDH1A1 1218/4885KDM4E 1970/4885HPGD 1442/4885

“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.