SCHEMBL9506213

SCHEMBL9506213

CCCC(CCCC(=O)OC)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
TSHR P16473 5/20 0.50
ZDHHC7 Q9NXF8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL28042796 0.95 CA1 (0.55) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL28154687 0.93 CA2 (0.67) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL15942757 0.92 CA1 (0.49) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL11615218 0.90 TSHR (0.56) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL487286 0.89 CA2 (0.58) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL28273234 0.89 CA2 (0.58) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL8107918 0.89 TSHR (0.54) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL579709 0.89 CA1 (0.50) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL27966661 0.87 CA2 (0.65) CA1CA2TSHRZDHHC7L3MBTL1
SCHEMBL7858108 0.87 CA2 (0.69) CA1CA2TSHRZDHHC7L3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111471021-B Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2024-04-02 CN disclosed
CN-115947681-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-04-11 CN disclosed
CN-109641844-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-11-01 CN disclosed
CN-113727973-A Substituted amide compounds useful as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-30 CN disclosed
CN-113226296-A SSAO inhibitors and uses thereof 梅塔科林公司 2021-08-06 CN disclosed
CN-112204009-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-08 CN disclosed
CN-112189008-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-05 CN disclosed
CN-106061971-B Pyrrolidinyl sulfone derivatives and their use as ROR gamma modulators 百时美施贵宝公司 2019-03-12 CN disclosed
US-9809668-B2 Polymerizable compound, composition, polymer, optically anisotropic body, liquid crystal display device, and organic EL device DIC CORPORATION (JP) 2017-11-07 US disclosed
US-20170260150-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY ELEMENT, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-09-14 US disclosed
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20170002123-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-01-05 US disclosed
CN-106061971-A Pyrrolidinyl sulfone derivatives and their use as ROR gamma modulators 百时美施贵宝公司 2016-10-26 CN disclosed
CN-104592231-A Novel Tricyclic Compounds ABBVIE INC 2015-05-06 CN disclosed
EP-0338427-B1 PROCESS FOR THE PREPARATION OF ESTERS OLEFINIC UNSATURATED CARBOXYLIC ACIDS WITH A TERMINAL ESTER GROUP BASF Aktiengesellschaft (DE) 1993-08-18 EP disclosed
EP-0338427-A2 Process for the preparation of esters olefinic unsaturated carboxylic acids with a terminal ester group BASF Aktiengesellschaft (DE) 1989-10-25 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 (3 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-20170260150-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY ELEMENT, AND ORGANIC EL DEVICE RPL19, RPL24, RPL29 CA1 1476/4885CA2 3995/4885TSHR 4519/4885
US-20170002123-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC CA1 1813/4885CA2 4079/4885TSHR 4711/4885
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC CA1 1813/4885CA2 4079/4885TSHR 4711/4885

“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.