SCHEMBL548052

SCHEMBL548052

CCC(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.53
RORC P51449 1/20 0.44
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41
TYR P14679 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
SCHEMBL18092983 1.00 GRIA4 (0.53) GRIA4RORCTSHRALDH1A1CYP2C9
SCHEMBL11513887 0.94 GRIA4 (0.49) GRIA4RORCTSHRALDH1A1CYP2C9
SCHEMBL1042166 0.90 GRIA4 (0.46) GRIA4RORCTSHRTP53
SCHEMBL12675624 0.90 GRIA4 (0.46) GRIA4RORCTSHRALDH1A1CYP2C9
SCHEMBL14169335 0.90 GRIA4 (0.46) GRIA4RORCTSHRALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL6348120 0.89 LMNA (0.57) GRIA4RORCTSHRALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL5332802 0.87 LMNA (0.55) GRIA4RORCTSHRALDH1A1CYP2C9
SCHEMBL14934700 0.86 GRIA4 (0.43) GRIA4RORCTSHRALDH1A1CYP2C9
SCHEMBL14592658 0.86 GRIA4 (0.43) GRIA4RORCTSHRALDH1A1CYP2C9
SCHEMBL21660887 0.86 GRIA4 (0.43) GRIA4RORCTSHRALDH1A1CYP2C9

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
US-6503662-B1 Tert-butylbenzene derivative prevents oxidation and decomposition of solvent at the time of charging which causes decreased battery characteristics UBE INDUSTRIES, LTD. (JP) 2003-01-07 US claimed
EP-3063154-B1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS UNIV ILLINOIS (US) 2023-08-30 EP disclosed
US-20210212813-A1 NASAL IMPLANTS AND SYSTEMS AND METHOD OF USE STRYKER CORPORATION 2021-07-15 US disclosed
CN-104812790-B Organopolysiloxane graft polymers 花王株式会社 2019-04-12 CN disclosed
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-09-11 US disclosed
WO-2018114761-A1 OPTICAL MEDIUM AND AN OPTICAL DEVICE MERCK PATENT GMBH (DE) 2018-06-28 WO disclosed
WO-2018024592-A1 A PHOTOSENSITIVE COMPOSITION, COLOR CONVERTING MEDIUM, OPTICAL DEVICES AND METHOD FOR PREPARING THE THEREOF MERCK PATENT GMBH (DE) 2018-02-08 WO disclosed
US-9839931-B2 Dispensers for dispensing microcapsules THE PROCTER & GAMBLE COMPANY (US) 2017-12-12 US disclosed
US-20170065997-A1 Dispensers For Dispensing Microcapsules THE PROCTER & GAMBLE COMPANY 2017-03-09 US disclosed
US-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2016-09-29 US disclosed
EP-1770133-B1 Curable composition, ink composition, inkjet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2015-03-11 EP disclosed
US-20120103787-A1 Photochemical Method For Producing Hydrocarbons NECKERS DOUGLAS C (US) 2012-05-03 US disclosed
US-8110074-B1 Photochemical method for producing hydrocarbons NECKERS DOUGLAS C (US) 2012-02-07 US disclosed
US-7723449-B2 Catalysts for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2010-05-25 US disclosed
US-20090023881-A1 Catalyst for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2009-01-22 US disclosed
CN-100336267-C Non-aqeous electrolytic sotution and lithium accumulator using said non-aqeous electrolytic solution UBE IND CORP (JP) 2007-09-05 CN disclosed
CN-1645663-A Non-aqeous electrolytic sotution and lithium accumulator using said non-aqeous electrolytic solution UBE INDUSTRIES (JP) 2005-07-27 CN disclosed
CN-1190863-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2005-02-23 CN disclosed
CN-1290974-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2001-04-11 CN disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (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-20160280721-A1 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS BOLA2; BOLA2B, BLVRB, CD79B GRIA4 854/4885RORC 844/4885TSHR 2727/4885
US-10072028-B2 Cross-coupling of unactivated secondary boronic acids BOLA2; BOLA2B, BLVRB, CD79B GRIA4 854/4885RORC 844/4885TSHR 2727/4885

“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.