SCHEMBL1201588

SCHEMBL1201588

Cc1cc(C)cc(N(OCCO)OCCO)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSPO P30536 4/20 0.34
ALDH1A1 P00352 1/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL7069057 0.83 ALDH1A1 (0.35) TP53ALOX15TSPOALDH1A1
SCHEMBL1288273 0.81 ACHE (0.38) TP53ALDH1A1
SCHEMBL80211 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7931679 0.75 GABRA1 (0.39) ALDH1A1
SCHEMBL11789762 0.75 S1PR1 (0.39) ALDH1A1
SCHEMBL7737665 0.71 ALDH1A1 (0.39) TP53ALOX15ALDH1A1
SCHEMBL104212 0.70 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11792323 0.69 THRB (0.31)
Hydrochloric Acid SCHEMBL28957292 0.68 ALDH1A1 (0.45) ALDH1A1
Ammonia Solution, Strong SCHEMBL28490309 0.68 ALDH1A1 (0.45) ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8317516-B2 Dental mill blanks 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-11-27 US disclosed
US-20110045436-A1 DENTAL MILL BLANKS 3M INNOVATIVE PROPERTIES COMPANY 2011-02-24 US disclosed
US-7845947-B2 Dental mill blanks 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-12-07 US disclosed
EP-1119588-B1 RADIOPAQUE CATIONICALLY POLYMERIZABLE COMPOSITIONS COMPRISING A RADIOPACIFYING FILLER, AND METHOD FOR POLYMERIZING SAME MINNESOTA MINING & MFG (US) 2009-06-17 EP disclosed
US-20070269768-A1 DENTAL MILL BLANKS 3M INNOVATIVE PROPERTIES COMPANY 2007-11-22 US disclosed
US-7255562-B2 Dental mill blanks 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-08-14 US disclosed
US-20070110656-A1 RADIOPAQUE CATIONICALLY POLYMERIZABLE COMPOSITIONS COMPRISING A RADIOPACIFYING FILLER, AND METHOD FOR POLYMERIZING SAME 3M INNOVATION PROPERTIES COMPANY 2007-05-17 US disclosed
US-7160528-B2 Radiopaque cationically polymerizable compositions comprising a radiopacifying filler, and method for polymerizing same 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-09 US disclosed
US-7030049-B2 Radiopaque cationically polymerizable compositions comprising a radiopacifying filler, and method for polymerizing same 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-18 US disclosed
US-20060052232-A1 Radiopaque cationically polymerizable compositions comprising a radiopacifying filler, and method for polymerizing same 3M INNOVATIVE PROPERTIES COMPANY 2006-03-09 US disclosed
US-20020090525-A1 Dental mill blanks RUSIN RICHARD P (US) 2002-07-11 US disclosed
US-20020002214-A1 Radiopaque cationically polymerizable compositions comprising a radiopacifying filler, and method for polymerizing same 3M INNOVATIVE PROPERTIES COMPANY 2002-01-03 US disclosed
US-6306926-B1 POLYMER COMPOSITION WITH CATION ACTIVE MATERIAL 3M INNOVATIVE PROPERTIES COMPANY 2001-10-23 US disclosed
EP-1143915-A1 DENTAL MILL BLANKS 3M Innovative Properties Company (US) 2001-10-17 EP disclosed
EP-1119588-A1 RADIOPAQUE CATIONICALLY POLYMERIZABLE COMPOSITIONS COMPRISING A RADIOPACIFYING FILLER, AND METHOD FOR POLYMERIZING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-08-01 EP disclosed
EP-1083859-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-03-21 EP disclosed
US-6187836-B1 DENTISTRY; PHOTOPOLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY 2001-02-13 US disclosed
WO-2000040206-A1 DENTAL MILL BLANKS 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-07-13 WO disclosed
WO-2000020494-A1 RADIOPAQUE CATIONICALLY POLYMERIZABLE COMPOSITIONS COMPRISING A RADIOPACIFYING FILLER, AND METHOD FOR POLYMERIZING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-04-13 WO disclosed
WO-1999062460-A1 PHOTOPOLYMERIZABLE DENTAL COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-12-09 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 (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-20020002214-A1 Radiopaque cationically polymerizable compositions comprising a radiopacifying filler, and method for polymerizing same DNAJC5, Q6ZSR9, DNAJC9 TP53 1127/4885ALOX15 697/4885TSPO 2923/4885

“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.