SCHEMBL380657

SCHEMBL380657

Oc1cccc2ccc3ccccc3c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.65
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 5/20 0.54
THRB P10828 3/20 0.54
HPGD P15428 3/20 0.54
PTPN22 Q9Y2R2 1/20 0.54
TSHR P16473 3/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
APP P05067 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
SNCA P37840 1/20 0.52
RECQL P46063 1/20 0.52
POLB P06746 2/20 0.50
CYP2A6 P11509 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

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
Methane SCHEMBL8622876 0.98 CYP1A2 (0.62) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL2467605 0.93 CYP1A2 (0.62) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL20508159 0.89 CYP1A2 (0.60) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL30903911 0.89 CYP1A2 (0.60) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL29436081 0.89 CYP1A2 (0.60) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL29589326 0.87 HSD17B10 (0.58) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL18600578 0.87 HSD17B10 (0.58) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL27481739 0.87 CYP1A2 (0.50) CYP1A2ALDH1A1HSD17B10THRBHPGD
Pyrene SCHEMBL28791415 0.86 CYP1A2 (0.81) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL16107752 0.84 CYP1A2 (0.56) CYP1A2ALDH1A1HSD17B10THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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-114563502-A Method for synchronously and quantitatively determining concentrations of various aromatic compounds and metabolites in urine 广东工业大学 2022-05-31 CN claimed
CN-111057055-B Multichannel mass spectrum derivatization reagent for detecting hydroxyl polycyclic aromatic hydrocarbon, and preparation method and application thereof 曲阜师范大学 2022-03-25 CN claimed
CN-111983053-A 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 2020-11-24 CN claimed
CN-111057055-A Multichannel mass spectrum derivatization reagent for detecting hydroxyl polycyclic aromatic hydrocarbon, and preparation method and application thereof 曲阜师范大学 2020-04-24 CN claimed
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed
WO-2026102563-A1 DISUBSTITUTED PYRIMIDOPYRROLE ANALOG AND USE THEREOF 深圳湾实验室坪山生物医药研发转化中心 2026-05-21 WO disclosed
US-12503480-B2 Cyclic phosphazene compound having oxaphosphorin ring-containing structure FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2025-12-23 US disclosed
US-20250268926-A1 METHOD AND COMPOSITION FOR TREATING, ALLEVIATING OR PREVENTING A DISEASE OR CONDITION CAUSED BY AIR POLLUTANT HONG KONG BAPTIST UNIVERSITY (CN) 2025-08-28 US disclosed
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 disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed
US-4886733-A Photographic products and processes POLAROID CORPORATION (US) 1989-12-12 US disclosed
CN-1035118-A A kind of method that forms polymer-scale that stops SHINETSU CHEMICAL CO (JP) 1989-08-30 CN disclosed
EP-0320227-A2 Method of preventing polymer-scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1989-06-14 EP disclosed
US-4347244-A Ganglioside containing compositions for treating diarrhea SOCIETE ANONYME DITE: INSTITUT MERIEUX (FR) 1982-08-31 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 (1 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-12503480-B2 Cyclic phosphazene compound having oxaphosphorin ring-containing structure PFAS, PHOSPHO1, PAF1 CYP1A2 3817/4885ALDH1A1 1437/4885HSD17B10 3851/4885

“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.