SCHEMBL962559

SCHEMBL962559

CCC12CC3CC(O)(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.42
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
HSD11B1 P28845 3/20 0.38
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
P2RX7 Q99572 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
SCHEMBL9402854 0.88 ALDH1A1 (0.49) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL5000748 0.82 ALDH1A1 (0.44) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL2571225 0.80 GRIN2D (0.52) PKMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14837319 0.80 GRIN2D (0.57) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL964124 0.80 HSD11B1 (0.41) ALDH1A1PKMHSD11B1L3MBTL1
SCHEMBL1732678 0.80 HSD11B1 (0.41) ALDH1A1PKMHSD11B1L3MBTL1
SCHEMBL301313 0.79 ALDH1A1 (0.42) ALDH1A1PKMGRIN2DGRIN3BGRIN1
SCHEMBL5935925 0.79 ALDH1A1 (0.40) ALDH1A1HSD11B1
SCHEMBL703158 0.77 ALDH1A1 (0.39) ALDH1A1
SCHEMBL301686 0.76 ALDH1A1 (0.64) ALDH1A1PKMGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117467249-A Anti-irradiation fruit fresh-keeping film and preparation method thereof 台州鸿博辐照科技有限公司 2024-01-30 CN claimed
CN-117467249-A Anti-irradiation fruit fresh-keeping film and preparation method thereof 台州鸿博辐照科技有限公司 2024-01-30 CN disclosed
US-11548893-B2 Enantiomerically pure adamantane carboxamides for the treatment of filovirus infection ARISAN THERAPEUTICS INC. (US) 2023-01-10 US disclosed
US-11548893-B2 Enantiomerically pure adamantane carboxamides for the treatment of filovirus infection ARISAN THERAPEUTICS INC. (US) 2023-01-10 US disclosed
US-20210171521-A1 ENANTIOMERICALLY PURE ADAMANTANE CARBOXAMIDES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
US-20210171521-A1 ENANTIOMERICALLY PURE ADAMANTANE CARBOXAMIDES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
CN-105980347-B Method for producing novel alicyclic ester compound, (meth) acrylic copolymer obtained by polymerizing the same, and photosensitive resin composition containing the same 三菱瓦斯化学株式会社 2019-08-16 CN disclosed
WO-2019018185-A1 ENANTIOMERICALLY PURE ADAMANTANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2019-01-24 WO disclosed
WO-2019018185-A1 ENANTIOMERICALLY PURE ADAMANTANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2019-01-24 WO disclosed
EP-3106477-B1 (METH)ACRYLIC ACID ESTER COMPOUND AND PRODUCTION METHOD THEREFOR MITSUBISHI GAS CHEMICAL CO (JP) 2018-08-29 EP disclosed
US-20160070168-A1 NOVEL ALICYCLIC ESTER COMPOUND, AND (METH)ACRYLIC COPOLYMER AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-03-10 US disclosed
EP-2990425-A1 NOVEL ALICYCLIC ESTER COMPOUND, AND (METH)ACRYLIC COPOLYMER AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2016-03-02 EP disclosed
CN-105143291-A Novel alicyclic ester compound, and (meth)acrylic copolymer and photosensitive resin composition containing same MITSUBISHI GAS CHEMICAL CO 2015-12-09 CN disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (6 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 1171/4885PKM 3149/4885GRIN2D 665/4885
US-20210171521-A1 ENANTIOMERICALLY PURE ADAMANTANE CARBOXAMIDES FOR THE TREATMENT OF FILOVIRUS INFECTION ADRB3, FPR3, RTN3 ALDH1A1 1694/4885PKM 4873/4885GRIN2D 707/4885
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP ALDH1A1 4135/4885PKM 3506/4885GRIN2D 2209/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 1171/4885PKM 3149/4885GRIN2D 665/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 ALDH1A1 81/4885PKM 2892/4885GRIN2D 94/4885
US-11548893-B2 Enantiomerically pure adamantane carboxamides for the treatment of filovirus infection ADRB3, FPR3, RTN3 ALDH1A1 1694/4885PKM 4873/4885GRIN2D 707/4885

“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.