SCHEMBL2697622

SCHEMBL2697622

CCCc1c(C)cccc1[O]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
NOS2 P35228 1/20 0.41
CXCR5 P32302 3/20 0.38
LDHA P00338 3/20 0.36
LDHB P07195 3/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
DHFR P00374 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL2697159 0.89 TSHR (0.40) TSHRCXCR5RAB9AALDH1A1KDM4E
SCHEMBL2697043 0.88 KCNH2 (0.42) TSHRCXCR5ALDH1A1KDM4EHPGD
SCHEMBL15050026 0.84 NOS2 (0.48) TSHRNOS2CXCR5RAB9AALDH1A1
SCHEMBL659716 0.82 NOS3 (0.38) TSHRNOS2ALDH1A1CYP1A2CYP2A6
Ammonia Solution, Strong SCHEMBL14719473 0.81 NOS2 (0.47) TSHRNOS2CXCR5RAB9AALDH1A1
Hydrochloric Acid SCHEMBL28711794 0.79 NOS2 (0.45) TSHRNOS2CXCR5LDHALDHB
SCHEMBL9656297 0.78 TSHR (0.45) TSHRNOS2CXCR5LDHALDHB
SCHEMBL2697180 0.78 GABRA1 (0.43) TSHRRAB9AALDH1A1KDM4EHPGD
SCHEMBL1005994 0.78 GABRA1 (0.38) TSHRRAB9AALDH1A1KDM4EHPGD
SCHEMBL2696924 0.77 KDM4E (0.40) TSHRNOS2LDHALDHBRAB9A

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 21 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-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
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 disclosed
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 disclosed
CN-111655758-A Polymers for nucleic acid delivery 国立大学法人东京大学 2020-09-11 CN disclosed
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 disclosed
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 disclosed
EP-2226328-B1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND ASAHI KASEI CHEMICALS CORP (JP) 2012-12-26 EP disclosed
US-8168812-B2 Process for producing alkyl tin alkoxide compound and process for producing carbonic acid ester using said compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-05-01 US disclosed
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound ASAHI KASEI KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2226328-A1 PROCESS FOR PRODUCTION OF ALKYL TIN ALKOXIDE COMPOUND, AND PROCESS FOR PRODUCTION OF CARBONATE ESTER USING THE COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-09-08 EP disclosed
US-7579485-B2 Process for producing lactone MITSUBISHI RAYON CO., LTD. (JP) 2009-08-25 US disclosed
EP-1473291-B1 PROCESS FOR PRODUCING LACTONE MITSUBISHI RAYON CO (JP) 2008-08-13 EP 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

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 TSHR 509/4885NOS2 506/4885CXCR5 2531/4885
US-20100292496-A1 Process for Production of Alkyl Tin Alkoxide Compound, and Process for Production of Carbonic Acid Ester Using the Compound OXSR1, AOC2, OXER1 TSHR 249/4885NOS2 419/4885CXCR5 993/4885

“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.