SCHEMBL4968816

SCHEMBL4968816

CC(C)(C)OC(=O)CCCCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.44
HRH1 P35367 2/20 0.42
HDAC8 Q9BY41 1/20 0.40
CYP19A1 P11511 2/20 0.39
TBXAS1 P24557 4/20 0.39
FAAH O00519 3/20 0.38
RAB9A P51151 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4967686 0.98 HRH1 (0.45) CYP17A1HRH1HDAC8TBXAS1FAAH
SCHEMBL4967086 0.89 CYP17A1 (0.47) CYP17A1CYP19A1RAB9AGPR119
SCHEMBL9196120 0.84 MAPT (0.56) HDAC8FAAHCES1MAPTRXFP1
Hydrochloric Acid SCHEMBL1677705 0.83 CYP17A1 (0.41) CYP17A1TBXAS1RAB9ACYP3A4
SCHEMBL27586622 0.83 MAPT (0.59) HDAC8FAAHCES1MAPTRXFP1
SCHEMBL6643753 0.81 HPGD (0.49) HRH1TBXAS1FAAHCES1MAPT
SCHEMBL6643632 0.81 HPGD (0.49) HRH1TBXAS1FAAHCES1MAPT
SCHEMBL6646146 0.81 HPGD (0.49) HRH1TBXAS1FAAHCES1MAPT
SCHEMBL27643469 0.81 CYP17A1 (0.41) CYP17A1HRH1CYP19A1RAB9AGPR119
SCHEMBL7955579 0.80 HDAC8 (0.44) HDAC8FAAHCES1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405359-A2 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-31 EP disclosed
WO-2023049790-A2 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-30 WO disclosed
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 CYP17A1 3749/4885HRH1 2252/4885HDAC8 4366/4885
US-20060039863-A1 Use of cyanine dyes for the diagnosis of disease associated with angiogenesis MYADM, CD14, CD68 CYP17A1 3034/4885HRH1 3397/4885HDAC8 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.