SCHEMBL218498

SCHEMBL218498

Oc1cccc2c1ccc1ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.73
HPRT1 P00492 3/20 0.67
TRPM4 Q8TD43 1/20 0.60
HSD17B10 Q99714 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP2A6 P11509 1/20 0.57
TSHR P16473 1/20 0.57
IDO1 P14902 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.52
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.48
PAK1 Q13153 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PAX8 Q06710 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL29689075 1.00 CYP1A2 (0.73) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
SCHEMBL29389852 1.00 CYP1A2 (0.73) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
SCHEMBL3165943 1.00 CYP1A2 (0.73) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
SCHEMBL30721806 1.00 CYP1A2 (0.73) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
SCHEMBL27519636 1.00 CYP1A2 (0.73) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
Methane SCHEMBL27869293 0.98 CYP1A2 (0.70) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
Toluene SCHEMBL27304709 0.88 CYP1A2 (0.57) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
1-Naphthol SCHEMBL8119253 0.87 CYP1A2 (0.94) CYP1A2TRPM4HSD17B10ALDH1A1TDP1
Triphenylene SCHEMBL28802331 0.87 CYP1A2 (0.94) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1
1-Naphthol SCHEMBL27532042 0.87 CYP1A2 (0.94) CYP1A2HPRT1TRPM4HSD17B10ALDH1A1

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 1113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028471-A Method for synchronously extracting and detecting 59 endocrine disruptors in amniotic fluid 天津大学温州安全(应急)研究院 2025-05-23 CN claimed
CN-119846104-A Detection method for multiple polycyclic aromatic hydrocarbon metabolites in urine 中国疾病预防控制中心环境与健康相关产品安全所 2025-04-18 CN claimed
CN-115656379-B Extraction method of phthalate and polycyclic aromatic hydrocarbon in blood 遵义医科大学 2025-03-25 CN claimed
CN-118271241-A Axis chiral nitrogen-containing heteroaromatic ring polydentate ligand, preparation method and application thereof 华东理工大学 2024-07-02 CN claimed
CN-117310018-A Method for simultaneously detecting 16 hydroxyl polycyclic aromatic hydrocarbon substances in urine 中国测试技术研究院 2023-12-29 CN claimed
EP-4157811-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS McMaster University (CA) 2023-04-05 EP claimed
CN-115326994-A Method and system for simultaneously analyzing multi-class smoke exposure biomarkers and using method 上海烟草集团有限责任公司 2022-11-11 CN claimed
CN-115124460-A Dinaphthalene axis chiral ligand containing coordination unit and preparation method and application thereof 华东理工大学 2022-09-30 CN claimed
CN-111983053-B Solid phase extraction-liquid chromatography triple quadrupole mass spectrometry isotope dilution method for online determination of hydroxyl polycyclic aromatic hydrocarbons in urine 广东工业大学 2022-08-02 CN claimed
CN-113121148-B Foam stabilizer and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-06-14 CN claimed
WO-1996029753-A9 ELECTROLYTE MATERIALS CONTAINING HIGHLY DISSOCIATED METAL ION SALTS 1997-01-16 WO claimed
US-5538812-A ELECTROLYTIC CELLS WITH POLYETHERSILOXANES WITH GROUPS OF TRIFLUOROMETHANESULFONYL MOLTECH CORPORATION (US) 1996-07-23 US claimed
US-5522927-A BLEND OF A ROSIN AND A TANNIN; CONCRETE AND MORTAR FREEZE RESISTANCE HENKEL CORPORATION (US) 1996-06-04 US claimed
WO-1995027686-A1 AIR ENTRAINMENT COMPOSITIONS FOR CEMENT COMPOSITIONS HENKEL CORPORATION (US) 1995-10-19 WO claimed
US-5431729-A Blend of rosin and tannin HENKEL CORPORATION (US) 1995-07-11 US claimed
US-4628126-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1986-12-09 US claimed
US-4590305-A CATALYTIC HYDROXYLATION OF PHENOLS USING HYDROGEN PEROXIDE DEGUSSA AKTIENGESELLSCHAFT (DE) 1986-05-20 US claimed
US-4551562-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-11-05 US claimed
US-4533766-A Process for the production of dihydroxybenzenes DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-08-06 US claimed
US-4323714-A Alkylation of hydroxy-substituted aromatic compounds UOP INC. (US) 1982-04-06 US claimed