SCHEMBL4967686

SCHEMBL4967686

CC(C)(C)OC(=O)CCCCCCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
CYP17A1 P05093 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
TBXAS1 P24557 5/20 0.40
FAAH O00519 5/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CES1 P23141 5/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NAAA Q02083 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
SCHEMBL4968816 0.98 CYP17A1 (0.44) HRH1CYP17A1HDAC8TBXAS1FAAH
SCHEMBL4967086 0.87 CYP17A1 (0.47) CYP17A1
SCHEMBL27586622 0.84 MAPT (0.59) HDAC8FAAHMAPTRXFP1CES1
SCHEMBL6643753 0.83 HPGD (0.49) HRH1TBXAS1FAAHMAPTRXFP1
SCHEMBL6646146 0.83 HPGD (0.49) HRH1TBXAS1FAAHMAPTRXFP1
SCHEMBL9196120 0.83 MAPT (0.56) HDAC8FAAHMAPTRXFP1CES1
SCHEMBL6643632 0.83 HPGD (0.49) HRH1TBXAS1FAAHMAPTRXFP1
Hydrochloric Acid SCHEMBL1677705 0.82 CYP17A1 (0.41) CYP17A1TBXAS1CYP3A4ALDH1A1
SCHEMBL7955579 0.82 HDAC8 (0.44) HDAC8FAAHMAPTRXFP1CES1
SCHEMBL7968451 0.82 HDAC8 (0.44) HDAC8FAAHMAPTRXFP1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585791-B1 HYDROPHILIC, THIOL-REACTIVE CYANINE DYES AND CONJUGATES THEREOF WITH BIOMOLECULES FOR FLUORESCENCE DIAGNOSIS BAYER SCHERING PHARMA AG (DE) 2008-09-24 EP disclosed
CN-101022835-A Antibody conjugated cyanine dyes for the diagnosis of micrometastasis BAYER SCHERING PHARMA AG (DE) 2007-08-22 CN disclosed
EP-1816475-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-08 EP disclosed
EP-1784226-A2 CYANINE DYES CONJUGATED WITH ANTIBODIES FOR THE DIAGNOSIS OF MICROMETASTASIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-16 EP disclosed
CN-1742057-A Hydrophilic, thiol-reactive cyanine dyes and conjugates thereof with biomolecules for fluorescence diagnosis SCHERING AG (DE) 2006-03-01 CN disclosed
US-20060039863-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 US disclosed
WO-2006008179-A2 CYANINE DYES CONJUGATED WITH ANTIBODIES FOR THE DIAGNOSIS OF MICROMETASTASIS SCHERING AG (DE) 2006-01-26 WO disclosed
EP-1619501-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis Schering AG (DE) 2006-01-25 EP disclosed
EP-1585791-A1 HYDROPHILIC, THIOL-REACTIVE CYANINE DYES AND CONJUGATES THEREOF WITH BIOMOLECULES FOR FLUORESCENCE DIAGNOSIS Schering AG (DE) 2005-10-19 EP disclosed
US-20040260072-A1 Hydrophilic, thiol-reactive cyanine dyes and conjugates thereof with biomolecules for fluorescence diagnosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 US disclosed
WO-2004065491-A1 HYDROPHILIC, THIOL-REACTIVE CYANINE DYES AND CONJUGATES THEREOF WITH BIOMOLECULES FOR FLUORESCENCE DIAGNOSIS SCHERING AG (DE) 2004-08-05 WO 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 (2 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-20040260072-A1 Hydrophilic, thiol-reactive cyanine dyes and conjugates thereof with biomolecules for fluorescence diagnosis TST, ABCG2, SPR HRH1 2252/4885CYP17A1 3749/4885HDAC8 4366/4885
US-20060039863-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis MYADM, CD14, CD68 HRH1 3397/4885CYP17A1 3034/4885HDAC8 3250/4885

“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.