SCHEMBL139182

SCHEMBL139182

Cc1ccc(C)c(-c2ccc(-c3ccc(-c4ccc(-c5cc(C)ccc5C)cc4)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
S1PR4 O95977 3/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
TP53 P04637 1/20 0.39
ELANE P08246 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
APP P05067 1/20 0.37
BACE1 P56817 1/20 0.37
ABL1 P00519 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HDAC7 Q8WUI4 1/20 0.36
HPRT1 P00492 1/20 0.36

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
SCHEMBL30445989 1.00 ESRRA (0.46) ESRRAALDH1A1TDP1S1PR4MEN1
SCHEMBL1046094 0.95 ESRRA (0.46) ESRRAALDH1A1TDP1S1PR4MEN1
SCHEMBL10110954 0.87 CYP46A1 (0.46) ESRRAALDH1A1MEN1KMT2A
SCHEMBL10110943 0.86 ESRRA (0.41) ESRRAALDH1A1TDP1S1PR4MEN1
SCHEMBL15435579 0.86 ESRRA (0.41) ESRRAALDH1A1TDP1S1PR4MEN1
SCHEMBL2095900 0.86 ESRRA (0.41) ESRRAALDH1A1TDP1S1PR4MEN1
SCHEMBL2784444 0.86 ACHE (0.50) ESRRAALDH1A1TDP1HPGDMAOB
SCHEMBL5280419 0.86 AHR (0.42) ESRRAALDH1A1TDP1HPGDKMT2A
SCHEMBL29637921 0.86 ESRRA (0.61) ESRRAALDH1A1TDP1MAOBCYP1A2
SCHEMBL27887044 0.86 ACHE (0.50) ESRRAMEN1HPGDKMT2AAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6538725-B2 Method for determination of structural defects of coatings GENERAL ELECTRIC COMPANY 2003-03-25 US claimed
US-20020135758-A1 Method for determination of structural defects of coatings GENERAL ELECTRIC COMPANY 2002-09-26 US claimed
US-8906354-B2 Loaded latex optical molecular imaging probes containing lipophilic large stokes shift dyes BRUKER BIOSPIN CORPORATION (US) 2014-12-09 US disclosed
US-8841134-B2 Fluorescence resonance energy transfer detection with nanoparticles for in vitro and in vivo applications BRUKER BIOSPIN CORPORATION (US) 2014-09-23 US disclosed
US-8834846-B2 Fluorescent NIRF activatable probes for disease detection BRUKER BIOSPIN CORPORATION (US) 2014-09-16 US disclosed
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES BRUKER BIOSPIN CORPORATION 2012-03-08 US disclosed
US-20110293529-A1 FLUORESCENT NIRF ACTIVATABLE PROBES FOR DISEASE DETECTION BRUKER BIOSPIN CORPORATION 2011-12-01 US disclosed
EP-2004713-B1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CARESTREAM HEALTH INC (US) 2011-03-09 EP disclosed
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 US disclosed
US-20090169482-A1 SILICA-CORED CARRIER PARTICLE QUANTUM MEDICAL HOLDINGS, LLC 2009-07-02 US disclosed
US-20090098057-A1 SILICA-CORED CARRIER PARTICLE QUANTUM MEDICAL IMAGING, L.L.C. 2009-04-16 US disclosed
US-6538725-B2 Method for determination of structural defects of coatings GENERAL ELECTRIC COMPANY 2003-03-25 US disclosed
US-20030038941-A1 Method for the rapid determination of the optical quality of combinatorial libraries GENERAL ELECTRIC COMPANY 2003-02-27 US disclosed
US-20030021998-A1 TAGGING MATERIALS FOR POLYMERS, METHODS, AND ARTICLES MADE THEREBY CITIBANK, N.A., AS COLLATERAL AGENT 2003-01-30 US disclosed
US-6499355-B1 Elongation and cracking testing and optical characterization of small-size coatings and materials GENERAL ELECTRIC COMPANY 2002-12-31 US disclosed
US-6460417-B1 Formability testing of small-size coatings and materials GENERAL ELECTRIC COMPANY 2002-10-08 US disclosed
US-20020135758-A1 Method for determination of structural defects of coatings GENERAL ELECTRIC COMPANY 2002-09-26 US disclosed
EP-0596098-B1 FLUORESCENT MICROPARTICLES WITH CONTROLLABLE ENHANCED STOKES SHIFT MOLECULAR PROBES INC (US) 1998-06-17 EP disclosed
US-5573909-A DETECTING MULTIPLE DIFFERENT TARGET SPECIFIC BINDING PAIR MEMBER IN SAMPLE BY USING PROBES COMPRISING POLYMERIC MICROPARTICLE CONTAINING DISPERSED SERIES OF FLUORESCENT DYES, AND COMPLEMENTARY SPECIFIC BINDING PAIR MEMBER MOLECULAR PROBES, INC. (US) 1996-11-12 US disclosed
US-5326692-A Polyazaindacene dyes MOLECULAR PROBES, INC. (US) 1994-07-05 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 (5 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-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex CLTA, COPE, CD68 ESRRA 3789/4885ALDH1A1 2203/4885TDP1 987/4885
US-20120058050-A1 LOADED LATEX OPTICAL MOLECULAR IMAGING PROBES CONTAINING LIPOPHILIC LARGE STOKES SHIFT DYES LASP1, LSS, SELL ESRRA 4296/4885ALDH1A1 1094/4885TDP1 1705/4885
US-20090098057-A1 SILICA-CORED CARRIER PARTICLE MSN, CD44, SND1 ESRRA 2910/4885ALDH1A1 4020/4885TDP1 3558/4885
US-20090169482-A1 SILICA-CORED CARRIER PARTICLE MSN, CD44, SND1 ESRRA 2910/4885ALDH1A1 4020/4885TDP1 3558/4885
US-20110293529-A1 FLUORESCENT NIRF ACTIVATABLE PROBES FOR DISEASE DETECTION CTSF, ENGASE, DNTT ESRRA 4056/4885ALDH1A1 754/4885TDP1 1184/4885

“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.