SCHEMBL96854

SCHEMBL96854

O=CCCCOc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.62
DRD2 P14416 4/20 0.55
DRD4 P21917 4/20 0.55
DRD3 P35462 4/20 0.55
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
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
SCHEMBL96602 0.94 KCNA3 (0.67) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL96055 0.92 KCNA3 (0.64) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL9683773 0.92 KCNA3 (0.64) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL7500091 0.92 KCNA3 (0.64) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL2786288 0.92 KCNA3 (0.64) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL1172269 0.92 KCNA3 (0.64) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL5593684 0.92 KCNA3 (0.64) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL43677 0.89 KCNA3 (0.58) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL5255128 0.88 HDAC1 (0.56) KCNA3HDAC3HDAC4HDAC1HDAC7
Sulfuric Acid SCHEMBL25438065 0.84 KCNA3 (0.53) KCNA3DRD2DRD4DRD3ALDH1A1

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 137 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
CN-1076200-A NEW DERIVATIVES OF BETA-AMINO ACIDS SANDOZ LTD (CH) 1993-09-15 CN claimed
EP-0254797-B1 2-HYDROXYETHYL-AZOLE DERIVATIVES BAYER AG (DE) 1990-07-04 EP claimed
EP-0254797-A1 2-Hydroxyethyl-azole derivatives BAYER AG (DE) 1988-02-03 EP claimed
CN-116693377-A Preparation method of anisoyl propanal 江苏馨瑞香料有限公司 2023-09-05 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US disclosed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 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 3623/4885DRD2 4852/4885DRD4 4836/4885
US-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 KCNA3 3623/4885DRD2 4852/4885DRD4 4836/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 KCNA3 3623/4885DRD2 4852/4885DRD4 4836/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 KCNA3 3623/4885DRD2 4852/4885DRD4 4836/4885

“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.