SCHEMBL96853

SCHEMBL96853

O=[C]CCCOc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.62
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTR1B P28222 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL96601 0.94 KCNA3 (0.67) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL7500084 0.92 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL11578031 0.92 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL11617118 0.92 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL96054 0.92 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL43676 0.89 KCNA3 (0.58) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL5255125 0.88 LSS (0.54) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7363050 0.82 KCNA3 (0.50) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL2068603 0.80 KCNA3 (0.65) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL5540265 0.79 KDM4E (0.46) ALDH1A1DRD2DRD4DRD3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 US claimed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 US claimed
CN-116121316-A Process for the manufacture of L-glufosinate 巴斯夫欧洲公司 2023-05-16 CN disclosed
CN-116121315-A Process for the manufacture of L-glufosinate 巴斯夫欧洲公司 2023-05-16 CN disclosed
CN-109072261-B Process for producing L-glufosinate 巴斯夫欧洲公司 2023-03-17 CN disclosed
US-11034725-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2021-06-15 US disclosed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2020-09-10 US disclosed
US-3998805-A MONOAZO DYES; POLYESTERS; YELLOW, RED, OR ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1976-12-21 US disclosed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 US disclosed
US-3984403-A PAINLESS INTRAMUSCULAR INJECTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed
US-3933806-A Cephalosporin michael adducts ELI LILLY AND COMPANY (US) 1976-01-20 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 (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-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 KCNA3 3623/4885TAAR1 4623/4885ALDH1A1 4023/4885
US-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 KCNA3 3623/4885TAAR1 4623/4885ALDH1A1 4023/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 KCNA3 3623/4885TAAR1 4623/4885ALDH1A1 4023/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 KCNA3 3623/4885TAAR1 4623/4885ALDH1A1 4023/4885

“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.