SCHEMBL4534402

SCHEMBL4534402

[CH2]CC(O)OCC(CC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
CYP3A4 P08684 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 8/20 0.45
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6248707 0.86 ALDH1A1 (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL28166197 0.85 CYP3A4 (0.49) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL28275392 0.83 CYP3A4 (0.47) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL7213996 0.83 ALDH1A1 (0.57) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL5404290 0.81 ALDH1A1 (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL27870950 0.81 CYP3A4 (0.46) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL27590447 0.81 TSHR (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL8217861 0.80 ALDH1A1 (0.52) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL978998 0.79 ALDH1A1 (0.50) TSHRCYP3A4TDP1ATML3MBTL1
SCHEMBL10533559 0.78 CYP3A4 (0.47) TSHRCYP3A4TDP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696599-B1 Water-soluble cyclodextrin derivatives having lipophilic substituents and process for preparing them CONSORTIUM ELEKTROCHEM IND (DE) 1999-12-01 EP claimed
US-5594125-A STABILIZERS, PROTECTIVE COATINGS, FINISHES, ADHESION PROMOTERS, PHASE TRANSFER AGENTS AND FLAVOR AND ODOR ENHANCERS; DRUGS, COSMETICS, AGRICULTURE; PAPER, LEATHER AND TEXTILES Consortium f ur elektrochemische Industrie GmbH (DE) 1997-01-14 US claimed
EP-0696599-A1 Water-soluble cyclodextrin derivatives having lipophilic substituents and process for preparing them Consortium für elektrochemische Industrie GmbH (DE) 1996-02-14 EP claimed
US-7625878-B2 Sulfoalkyl ether-alkyl ether cyclodextrin derivatives THE UNIVERSITY OF KANSAS (US) 2009-12-01 US disclosed
EP-1678211-A4 SULFOALKYL ETHER-ALKYL ETHER CYCLODEXTRIN DERIVATIVES UNIV KANSAS (US) 2008-04-02 EP disclosed
CN-101039682-A Sulfoalkyl ether-alkyl ether cyclodextrin derivatives UNIV KANSAS (US) 2007-09-19 CN disclosed
US-20060258537-A1 Sulfoalkyl ether-alkyl ether cyclodextrin derivatives UNIVERSITY OF KANSAS 2006-11-16 US disclosed
US-20060241005-A1 Oil-splitting alkaline cleaner for metal parts HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-26 US disclosed
EP-1678211-A2 SULFOALKYL ETHER-ALKYL ETHER CYCLODEXTRIN DERIVATIVES THE UNIVERSITY OF KANSAS (US) 2006-07-12 EP disclosed
US-20060060265-A1 Lubricant system for cold forming, process and composition therefor HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN 2006-03-23 US disclosed
WO-2005042584-A2 SULFOALKYL ETHER-ALKYL ETHER CYCLODEXTRIN DERIVATIVES THE UNIVERSITY OF KANSAS (US) 2005-05-12 WO disclosed
EP-0696599-B1 Water-soluble cyclodextrin derivatives having lipophilic substituents and process for preparing them CONSORTIUM ELEKTROCHEM IND (DE) 1999-12-01 EP disclosed
US-5594125-A STABILIZERS, PROTECTIVE COATINGS, FINISHES, ADHESION PROMOTERS, PHASE TRANSFER AGENTS AND FLAVOR AND ODOR ENHANCERS; DRUGS, COSMETICS, AGRICULTURE; PAPER, LEATHER AND TEXTILES Consortium f ur elektrochemische Industrie GmbH (DE) 1997-01-14 US disclosed
EP-0696599-A1 Water-soluble cyclodextrin derivatives having lipophilic substituents and process for preparing them Consortium für elektrochemische Industrie GmbH (DE) 1996-02-14 EP 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-20060258537-A1 Sulfoalkyl ether-alkyl ether cyclodextrin derivatives SELE, STS, EPCAM TSHR 2398/4885CYP3A4 75/4885TDP1 3798/4885

“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.