SCHEMBL22320712

SCHEMBL22320712

CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Cu]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
TSHR P16473 2/20 0.41
FAAH O00519 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 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
Hydrochloric Acid SCHEMBL12478351 0.98 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL16267050 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29445003 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL29042594 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28502131 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL16655509 0.79 DPP4 (0.45) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL1821813 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL21723903 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL30976692 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2243365 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894886-A Preparation method of axial chiral alkenyl borate containing phosphine or carboxylate 福州大学 2024-11-05 CN claimed
CN-117466717-A Fully substituted alkyl alkenyl ether, preparation method and application 四川大学 2024-01-30 CN claimed
CN-115785135-A Polysubstituted prenyl borate and synthesis method thereof 南京理工大学 2023-03-14 CN claimed
CN-112624938-B Novel method for synthesizing ethyl hydrazine dihydrochloride 南开大学 2022-12-30 CN claimed
CN-115397824-A Process for preparing COT inhibitor compounds 吉利德科学公司 2022-11-25 CN claimed
CN-112624938-A Novel method for synthesizing ethyl hydrazine dihydrochloride 南开大学 2021-04-09 CN claimed
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 杭州纤纳光电科技有限公司 2020-12-15 CN claimed
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2020-07-21 CN claimed
CN-110577457-A Copper-catalyzed carboxylation reaction method of arylboronic acid and carbon dioxide 北京大学 2019-12-17 CN claimed
CN-118894886-A Preparation method of axial chiral alkenyl borate containing phosphine or carboxylate 福州大学 2024-11-05 CN disclosed
CN-107793437-B 3-Coordinated copper (I) -carbene complexes 南加利福尼亚大学 2024-05-24 CN disclosed
CN-112920145-B Method for synthesizing 2, 5-furandicarboxylic acid by visible light catalysis 新乡学院 2023-06-20 CN disclosed
CN-111435705-B Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2023-04-07 CN disclosed
CN-115888844-A Palladium catalyst, preparation method and application thereof, and synthetic method of p-vinylbenzoic acid 华烁科技股份有限公司 2023-04-04 CN disclosed
CN-112624938-A Novel method for synthesizing ethyl hydrazine dihydrochloride 南开大学 2021-04-09 CN disclosed
CN-110577457-B Copper-catalyzed carboxylation reaction method of arylboronic acid and carbon dioxide 北京大学 2021-02-02 CN disclosed
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 杭州纤纳光电科技有限公司 2020-12-15 CN disclosed
US-20200254422-A1 Compositions and Methods for Removing Heavy Metals from Contaminated Materials MGP BIOTECHNOLOGIES, INC. 2020-08-13 US disclosed
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2020-07-21 CN disclosed
CN-110577457-A Copper-catalyzed carboxylation reaction method of arylboronic acid and carbon dioxide 北京大学 2019-12-17 CN 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-20200254422-A1 Compositions and Methods for Removing Heavy Metals from Contaminated Materials AS3MT, GSTM2, HNRNPM GABRA1 4575/4885GABRG2 4128/4885GABRB3 4606/4885

“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.