SCHEMBL469783

SCHEMBL469783

BrC12CC3CC(Br)(C1)CC(Br)(C3)C2

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
STAT6 P42226 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SLC47A1 Q96FL8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL16930820 1.00 SLC22A2 (0.30) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL3849835 0.83
SCHEMBL18028703 0.79 LMNA (0.34) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL3849693 0.79 LMNA (0.36) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL3849632 0.77
SCHEMBL11657632 0.71 GRIN2D (0.41) SLC22A2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13109254 0.71
SCHEMBL8680357 0.69 GRIN2D (0.44) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL258925 0.69 GRIN2D (0.44) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL4999951 0.67 GRIN2D (0.42) SLC22A2SLC22A1GRIN2DGRIN3BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104628526-B A kind of preparation method of adamantane triol 徐州博康信息化学品有限公司 2016-09-07 CN claimed
US-4990691-A Hydrolyzing tribromoadamantane in presence of pyridine to form triol IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-05 US claimed
US-11708384-B2 Systems and methods for mechanosynthesis CBN NANO TECHNOLOGIES INC. (CA) 2023-07-25 US disclosed
US-20220106338-A1 Systems and Methods for Mechanosynthesis CBN NANO TECHNOLOGIES INC. (CA) 2022-04-07 US disclosed
US-11203726-B1 Diamondoid fuels THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2021-12-21 US disclosed
US-11118124-B1 Diamondoid fuels THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2021-09-14 US disclosed
CN-107324978-B Biphenyl substituted adamantane derivative monomolecular resin, positive photoresist composition and negative photoresist composition 中国科学院理化技术研究所 2020-10-02 CN disclosed
US-10710941-B1 Diamondoid fuels THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2020-07-14 US disclosed
CN-107266319-B Dendritic polyphenyl substituted adamantane derivative monomolecular resin, positive photoresist composition and negative photoresist composition 中国科学院理化技术研究所 2020-04-24 CN disclosed
CN-107266319-A Dendritic polyphenyl substituted adamantane derivative monomolecular resin, positive photoresist composition and negative photoresist composition 中国科学院理化技术研究所 2017-10-20 CN disclosed
US-9716235-B2 9,10-bis[2-(p-substituted phenyl)pyrimidin-4-yl] anthracene compounds, methods of preparing the same, organic electroluminescent devices and organic electroluminescent display apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-07-25 US disclosed
EP-1985616-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE Idemitsu Kosan Co., Ltd. (JP) 2008-10-29 EP disclosed
US-6720460-B2 FORMING HEAT RESISTANT, MECHANICAL STRENGTH POLYMER ADDITIVES; ACID CATALYZED REACTION OF ADAMANTANE DIOL OR TRIOL WITH PHENOLIC DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-13 US disclosed
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2003-10-02 US disclosed
EP-1336597-A1 Hydroxyphenyl adamantanes and process for the production of the same Honshu Chemical Industry Co., Ltd. (JP) 2003-08-20 EP disclosed
US-20010014428-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-16 US disclosed
US-5017734-A Ethynyl adamantane derivatives and methods of polymerization thereof FLUOROCHEM INC., A CORP. OF CALIFORNIA 1991-05-21 US disclosed
US-4990691-A Hydrolyzing tribromoadamantane in presence of pyridine to form triol IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-05 US disclosed
US-4963292-A HIGH VISCOSITY AT ELEVATED TEMPERATURES; LOW POUR POINT; HEAT AND OXIDATION RESISTANCE IDEMITSU KOSAN COMPANY, LIMITED (JP) 1990-10-16 US disclosed
EP-0363866-A2 Higher carboxylic acid triester of adamantane triol and lubricating oil containing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-04-18 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 (4 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-11118124-B1 Diamondoid fuels COXFA4, DCAF15, PC SLC22A2 2099/4885SLC22A1 2311/4885GRIN2D 3334/4885
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same CYP8B1, DHPS, P4HA1 SLC22A2 2800/4885SLC22A1 2007/4885GRIN2D 2144/4885
US-11203726-B1 Diamondoid fuels COXFA4, DCAF15, PC SLC22A2 2099/4885SLC22A1 2311/4885GRIN2D 3334/4885
US-10710941-B1 Diamondoid fuels COXFA4, DCAF15, PC SLC22A2 2099/4885SLC22A1 2311/4885GRIN2D 3334/4885

“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.