SCHEMBL4527239

SCHEMBL4527239

CC[C](O)Oc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 2/20 0.50
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
PTPN7 P35236 1/20 0.49
ALOX5 P09917 1/20 0.47
AGXT P21549 2/20 0.46
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FABP7 O15540 1/20 0.43
FABP3 P05413 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL4441141 0.79 PDGFRB (0.61) TDP1KMT2AMAPTMEN1CYP1A2
SCHEMBL38659578 0.79 PDGFRB (0.61) TDP1KMT2AMAPTMEN1CYP1A2
SCHEMBL194632 0.79 ELANE (0.46) TDP1MAPTRAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL28858265 0.78 PDGFRB (0.59) TDP1KMT2AMAPTMEN1CYP1A2
SCHEMBL8541533 0.75 CYP1A2 (0.58) TDP1KMT2AMAPTMEN1CYP1A2
Propionic Acid SCHEMBL7100623 0.74 CYP1A2 (0.68) TDP1KMT2AMAPTMEN1CYP1A2
SCHEMBL27637379 0.74 PDGFRB (0.52) TDP1KMT2AMAPTMEN1CYP1A2
SCHEMBL2907053 0.74 KMT2A (0.50) TDP1KMT2AMAPTMEN1CYP1A2
Naphthalene SCHEMBL1131780 0.74 KMT2A (0.69) TDP1KMT2AMAPTMEN1CYP1A2
SCHEMBL29937281 0.74 KMT2A (0.69) TDP1KMT2AMAPTMEN1CYP1A2

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-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
US-20060258537-A1 Sulfoalkyl ether-alkyl ether cyclodextrin derivatives UNIVERSITY OF KANSAS 2006-11-16 US disclosed
EP-1678211-A2 SULFOALKYL ETHER-ALKYL ETHER CYCLODEXTRIN DERIVATIVES THE UNIVERSITY OF KANSAS (US) 2006-07-12 EP 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 TDP1 3798/4885KMT2A 4191/4885MAPT 2355/4885

“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.