SCHEMBL99181

SCHEMBL99181

CC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2C9 P11712 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SOAT1 P35610 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
KCNQ2 O43526 1/20 0.55
POLB P06746 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAOA P21397 1/20 0.54
APOBEC3A P31941 1/20 0.54
GFER P55789 1/20 0.54
HDAC1 Q13547 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54

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
Propanol SCHEMBL28418591 0.91 SOAT1 (0.60) ALDH1A1HPGDMEN1CYP2C9KMT2A
Acrylic Acid SCHEMBL1505076 0.90 ALDH1A1 (0.58) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL9762630 0.88 ALDH1A1 (0.57) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL3640507 0.88 ALDH1A1 (0.50) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL6326388 0.87 ALDH1A1 (0.65) ALDH1A1HPGDCYP2C9KDM4ESMN1; SMN2
SCHEMBL21522574 0.87 ALDH1A1 (0.52) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL5213661 0.87 ALDH1A1 (0.56) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL16429258 0.85 MAOA (0.57) ALDH1A1HPGDCYP2C9LMNATHRB
SCHEMBL29116511 0.85 MAOA (0.61) ALDH1A1HPGDCYP2C9LMNATHRB
SCHEMBL6326391 0.85 MAOA (0.53) ALDH1A1HPGDCYP2C9LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109082280-B Preparation method of liquid crystal material 宁夏中星显示材料有限公司 2020-07-28 CN claimed
CN-109082280-A A kind of preparation method of liquid crystal material 宁夏中星显示材料有限公司 2018-12-25 CN claimed
US-12534437-B2 Photoredox-catalyzed direct C—H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2026-01-27 US disclosed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-02-21 US disclosed
CN-114702684-A Iodine functionalized metal organic framework and preparation method and application thereof 福州大学 2022-07-05 CN disclosed
CN-111286748-B Method for electrochemically synthesizing carbazole compounds 齐鲁工业大学 2021-11-26 CN disclosed
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed
US-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2021-09-23 US disclosed
CN-110563649-B High-selectivity deuteration method of 2-methyl nitrogen heterocyclic compound 浙江工业大学 2021-07-27 CN disclosed
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP disclosed
WO-1989006231-A1 ASSAYS UTILIZING IMPROVED CHEMILUMINESCENT ESTERS, THIOESTERS AND AMIDES LONDON DIAGNOSTICS, INC. (US) 1989-07-13 WO disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed
CN-87102669-A Fiberboard and manufacture method thereof 1987-12-30 CN disclosed
EP-0151702-B1 ALPHA-HYDROXYKETONE ACETALS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1987-11-25 EP disclosed
US-4539420-A Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-09-03 US disclosed
EP-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP disclosed
EP-0067698-A2 Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-12-22 EP disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP disclosed
US-4074998-A USING A SUBSTITUTED PHENOXYALKYLAMINE OR PHENYLTHIOALKYLAMINE ELI LILLY AND COMPANY (US) 1978-02-21 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 (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-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes PPOX, AOC2, AOC3 ALDH1A1 495/4885HPGD 475/4885MEN1 4101/4885
US-12534437-B2 Photoredox-catalyzed direct C—H functionalization of arenes PF4, PPOX, AOC2 ALDH1A1 1939/4885HPGD 3799/4885MEN1 3030/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885HPGD 475/4885MEN1 4101/4885
US-20210292340-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, RIPK1, RIPK2 ALDH1A1 4581/4885HPGD 1711/4885MEN1 2739/4885

“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.