SCHEMBL779415

SCHEMBL779415

CC(C)(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
TYR P14679 2/20 0.42
NR1I2 O75469 2/20 0.42
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL29630132 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL12773797 0.85 KIF11 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL11527759 0.85 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL10708102 0.85 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL15362777 0.85 KIF11 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29080595 0.84 ALDH1A1 (0.35) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL30578299 0.84 ALDH1A1 (0.35) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29139200 0.84 ALDH1A1 (0.40) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL19170782 0.82 KIF11 (0.47) TSHRMEN1KMT2AKIF11CYP2D6
SCHEMBL24433591 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1

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 25 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
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20230303602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
US-11680072-B2 Condensed heterocyclic derivates as BCL-2 inhibitors for the treatment of neoplastic diseases NEWAVE PHARMACEUTICAL INC. (US) 2023-06-20 US disclosed
US-20230145950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-11 US disclosed
US-20220220126-A1 CONDENSED HETEROCYCLIC DERIVATES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC DISEASES NEWAVE PHARMACEUTICAL INC. 2022-07-14 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
CN-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 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-11680072-B2 Condensed heterocyclic derivates as BCL-2 inhibitors for the treatment of neoplastic diseases BCL2, BCL3, BCL2A1 ALDH1A1 3366/4885ALOX15 2801/4885HSD17B10 3125/4885
US-20230303602-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ODC1 ALDH1A1 652/4885ALOX15 1339/4885HSD17B10 2347/4885
US-20230145950-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NR1D2, NR1H2, NR1D1 ALDH1A1 1415/4885ALOX15 562/4885HSD17B10 1596/4885
US-20220220126-A1 CONDENSED HETEROCYCLIC DERIVATES AS BCL-2 INHIBITORS FOR THE TREATMENT OF NEOPLASTIC DISEASES BCL2, BCL3, BCL2L10 ALDH1A1 3590/4885ALOX15 3419/4885HSD17B10 3048/4885

“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.