SCHEMBL738388

SCHEMBL738388

OB(O)Oc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2A6 P11509 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
AGXT P21549 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN7 P35236 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
CA9 Q16790 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.42
GAA P10253 1/20 0.42
RCE1 Q9Y256 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL29366312 1.00 CYP1A2 (0.52) CYP1A2CYP2A6CA1CA2AGXT
Methylamine SCHEMBL14940561 0.94 CYP2A6 (0.52) CYP1A2CYP2A6CA1CA2AGXT
SCHEMBL29069620 0.86 ALDH1A1 (0.48) CYP1A2CYP2A6CA1CA2TDP1
SCHEMBL29817774 0.86 ALDH1A1 (0.48) CYP1A2CYP2A6CA1CA2TDP1
SCHEMBL28471083 0.84 ALDH1A1 (0.50) CYP1A2CYP2A6CA1CA2TDP1
SCHEMBL30526476 0.84 ESR1 (0.57) CYP1A2CYP2A6CA1CA2CA9
SCHEMBL14244320 0.84 ESR1 (0.57) CYP1A2CYP2A6CA1CA2CA9
SCHEMBL30918776 0.84 ESR1 (0.57) CYP1A2CYP2A6CA1CA2CA9
SCHEMBL30918777 0.82 ESR1 (0.53) CYP1A2CA1CA2ALOX5
SCHEMBL30962314 0.82 ESR1 (0.53) CYP1A2CA1CA2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019229-A Synthesis method of beta-gem difluorophenethyl alcohol or beta-gem difluorophenethyl ether compound and analogues thereof 中国科学技术大学 2024-11-26 CN claimed
CN-116710438-B Method and system for producing furfural 国际壳牌研究有限公司 2024-10-18 CN claimed
CN-116554942-B Composite antioxidant and preparation method thereof 上海奇克氟硅材料有限公司 2024-05-28 CN claimed
CN-117342907-A Method for preparing phenol by hydroxylation reaction of boric acid derivative in air under no-alkali condition without light catalyst 江西科技师范大学 2024-01-05 CN claimed
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 CN claimed
CN-116710438-A Method and system for producing furfural 国际壳牌研究有限公司 2023-09-05 CN claimed
CN-116554942-A Composite antioxidant and preparation method thereof 上海奇克氟硅材料有限公司 2023-08-08 CN claimed
CN-116529236-A Method and system for producing furfural 国际壳牌研究有限公司 2023-08-01 CN claimed
CN-107602443-B 1, omega-bis (3, 6-diaryl carbazolyl) -alkane and preparation method thereof 深圳大学 2020-07-07 CN claimed
US-20150376085-A1 ANTHRACENE COMPOUND, METHOD FOR PREPARING THE SAME, USE THEREOF AND ORGANIC LIGHT EMITTING DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-12-31 US claimed
US-20250109091-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2025-04-03 US disclosed
CN-113582856-B Organic electroluminescent compound and organic electroluminescent device comprising the same 杜邦特种材料韩国有限公司 2025-03-07 CN disclosed
CN-119552180-A Hydrolysis-resistant and corrosion-resistant integrated organic borate lubricating oil additive, and preparation method and application thereof 青海大学 2025-03-04 CN disclosed
CN-112912359-B Compound, organic electroluminescent element using same, and electronic device 出光兴产株式会社 2025-02-28 CN disclosed
CN-119403785-A Compound, polymerizable composition, polymer, hologram image recording medium, optical material, and optical component 三菱化学株式会社 2025-02-07 CN disclosed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 WO disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 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 (2 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-20250109091-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE NOM1, NOS1, MNS1 CYP1A2 950/4885CYP2A6 2593/4885CA1 1282/4885
US-20150376085-A1 ANTHRACENE COMPOUND, METHOD FOR PREPARING THE SAME, USE THEREOF AND ORGANIC LIGHT EMITTING DEVICE CYP2C9, AHR, AOC2 CYP1A2 21/4885CYP2A6 124/4885CA1 2268/4885

“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.