SCHEMBL3685845

SCHEMBL3685845

CC(C)CC(C)C(C)COc1ccc(OCC(C)C(C)CC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 3/20 0.42
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 3/20 0.40
XBP1 P17861 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
NQO1 P15559 1/20 0.39
PTGS1 P23219 2/20 0.38
MAOA P21397 1/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4628241 0.90 SLC6A2 (0.50) AAK1CYP3A4LMNACYP2C19PTGS1
SCHEMBL123415 0.78 MAPT (0.55) LMNAMAPTHPGDPOLBXBP1
SCHEMBL20851318 0.71 MAPT (0.58) AAK1CYP3A4LMNAMAPTHPGD
SCHEMBL29690404 0.71 USP2 (0.47) CYP3A4LMNAMAPTCYP2C9KDM4E
SCHEMBL4527180 0.71 MAPT (0.50) LMNAMAPTHPGDPOLBXBP1
SCHEMBL9057992 0.71 AAK1 (0.53) AAK1CYP3A4LMNAMAPTHPGD
SCHEMBL7329813 0.70 NQO1 (0.67) LMNAMAPTHPGDPOLBXBP1
SCHEMBL2231003 0.70 TSHR (0.50) CYP3A4LMNAMAPTHPGDPOLB
SCHEMBL3182331 0.70 HPGD (0.66) LMNAMAPTHPGDPOLBXBP1
SCHEMBL13263721 0.70 USP2 (0.58) CYP3A4LMNAMAPTPOLBCYP2C9

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
US-20050037048-A1 Medical devices containing antioxidant and therapeutic agent BOSTON SCIENTIFIC SCIMED, INC. 2005-02-17 US claimed
EP-2708247-B1 IMPLANTABLE OR INSERTABLE MEDICAL DEVICES BOSTON SCIENT NEUROMODULATION CORP (US) 2017-06-14 EP disclosed
US-9220811-B2 Implantable or insertable medical devices BOSTON SCIENTIFIC SCIMED, INC. (US) 2015-12-29 US disclosed
EP-2711031-A2 Implantable or Insertable Medical Devices Boston Scientific Neuromodulation Corporation (US) 2014-03-26 EP disclosed
EP-2708247-A1 Implantable or Insertable Medical Devices Boston Scientific Neuromodulation Corporation (US) 2014-03-19 EP disclosed
EP-2344207-B1 IMPLANTABLE OR INSERTABLE MEDICAL DEVICES BOSTON SCIENT NEUROMODULATION (US) 2013-12-25 EP disclosed
US-20100256720-A1 IMPLANTABLE OR INSERTABLE MEDICAL DEVICES BOSTON SCIENTIFIC NEUROMODULATION CORPORATION (US) 2010-10-07 US disclosed
US-20090246292-A1 ANTIMICROBIAL FORMULATIONS COMPRISING A QUINONE AND A COPPER SALT SYNTOPIX LIMITED (GB) 2009-10-01 US disclosed
US-20060182792-A1 Liposome-forming compositions BERNINA BIOSYSTEMS GMBH (DE) 2006-08-17 US disclosed
US-20050064011-A1 Implantable or insertable medical devices containing phenolic compound for inhibition of restenosis BOSTON SCIENTIFIC SCIMED, INC. 2005-03-24 US disclosed
US-20050037048-A1 Medical devices containing antioxidant and therapeutic agent BOSTON SCIENTIFIC SCIMED, INC. 2005-02-17 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 (1 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-20060182792-A1 Liposome-forming compositions CLPTM1L, LIPA, LYPLAL1 AAK1 3118/4885CYP3A4 4417/4885LMNA 614/4885

“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.