SCHEMBL659716

SCHEMBL659716

CCc1c(C)cccc1[O]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CYP3A4 P08684 3/20 0.33
SLC22A12 Q96S37 1/20 0.33
TP53 P04637 1/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL2697622 0.82 TSHR (0.45) NOS2CYP1A2CYP2A6TSHRACHE
SCHEMBL597056 0.82 CYP2A6 (0.45) NOS3NOS2CYP1A2CYP2A6GABRA1
SCHEMBL2697159 0.80 TSHR (0.40) TSHRALDH1A1HTTLMNAMAPT
SCHEMBL2697043 0.79 KCNH2 (0.42) TSHRALDH1A1
SCHEMBL27992005 0.78 CYP3A4 (0.42) NOS3NOS2CYP2A6TSHRALDH1A1
SCHEMBL3258673 0.78 GABRA1 (0.48) NOS3NOS2CYP1A2CYP2A6GABRA1
SCHEMBL169506 0.78 GABRA1 (0.48) NOS3NOS2CYP1A2CYP2A6GABRA1
SCHEMBL186267 0.78 GABRA1 (0.48) GABRA1GABRB2TAAR1TP53HTT
Ammonia Solution, Strong SCHEMBL150658 0.76 GABRA1 (0.46) NOS3NOS2CYP1A2CYP2A6GABRA1
SCHEMBL575652 0.76 NOS3 (0.38) NOS3NOS2CYP1A2CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410239-A Heteroatom-containing metallocene compound and preparation method and application thereof 惠生(中国)投资有限公司 2023-07-11 CN claimed
CN-110818545-B Method for preparing substituted aryl ketone by ketone arylation 上海化工研究院有限公司 2022-12-09 CN claimed
CN-110922286-B Asymmetric aryl substituted fulvene compound and preparation method and application thereof 上海化工研究院有限公司 2022-08-16 CN claimed
CN-110922286-A Asymmetric aryl substituted fulvene compound and preparation method and application thereof 上海化工研究院有限公司 2020-03-27 CN claimed
CN-110818545-A Method for preparing substituted aryl ketone by ketone arylation 上海化工研究院有限公司 2020-02-21 CN claimed
CN-111655758-B Nucleic acid delivery polymers 国立大学法人东京大学 2024-03-22 CN disclosed
CN-115305017-B High refractive index optical organic glue composition and preparation method and use method thereof 西安思摩威新材料有限公司 2023-11-24 CN disclosed
CN-110959202-B Composition for encapsulating organic light emitting diode and organic light emitting diode display 三星SDI株式会社 2023-08-25 CN disclosed
CN-109952663-B Composition for sealing organic light-emitting element and organic light-emitting element display device manufactured from the same 三星SDI株式会社 2023-07-21 CN disclosed
CN-116410239-A Heteroatom-containing metallocene compound and preparation method and application thereof 惠生(中国)投资有限公司 2023-07-11 CN disclosed
US-20230203225-A1 COMPOSITION FOR ENCAPSULATING ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING ELEMENT DISPLAY DEVICE MANUFACTURED THEREFROM SAMSUNG SDI CO LTD (KR) 2023-06-29 US disclosed
CN-113248653-B Composition encapsulating organic light emitting device and organic light emitting device display apparatus 三星SDI株式会社 2023-05-19 CN disclosed
US-7125930-B2 Block copolymer and polymeric luminescent element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-24 US disclosed
US-20060043358-A1 Polymer thin and polymer thin film device using same RAPISCAN HOLDINGS, INC. 2006-03-02 US disclosed
US-20050080276-A1 Process for producing lactone MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-14 US disclosed
EP-1473291-A1 PROCESS FOR PRODUCING LACTONE Mitsubishi Rayon Co., Ltd. (JP) 2004-11-03 EP disclosed
US-20040100804-A1 Solid pahse fluorescence; low molecular weight light emission diodes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-05-27 US disclosed
EP-1398340-A1 BLOCK COPOLYMER AND POLYMERIC LUMINESCENT ELEMENT Sumitomo Chemical Company, Limited (JP) 2004-03-17 EP disclosed
US-20040002576-A1 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-01-01 US disclosed
EP-1344788-A1 Conjugated polymer comprising dibenzothiophene- or dibenzofuran-units and their use in polymer LEDs SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-17 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 (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-20050080276-A1 Process for producing lactone DCXR, MRPL21, LSS NOS3 971/4885NOS2 506/4885CYP1A2 47/4885
US-20230203225-A1 COMPOSITION FOR ENCAPSULATING ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING ELEMENT DISPLAY DEVICE MANUFACTURED THEREFROM ORMDL3, NOTUM, WEE1 NOS3 646/4885NOS2 64/4885CYP1A2 467/4885

“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.