SCHEMBL1742129

SCHEMBL1742129

[CH2]c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
ALOX15 P16050 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
HSP90AA1 P07900 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 3/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TYR P14679 3/20 0.33
HTR1D P28221 2/20 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
SCHEMBL27427360 0.79 HTR1D (0.37) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL809295 0.78 ALDH1A1 (0.56) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL139484 0.78 POLB (0.56) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL2518416 0.76 ALDH1A1 (0.50) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL7136246 0.74 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL13280565 0.74 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL1171494 0.74 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL11357994 0.74 POLB (0.46) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL272648 0.74 CA2 (0.48) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL25468636 0.72 GABRA1 (0.42) GABRA1GABRB2POLBALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984457-B1 BLUE COLOUR FILTERS WITH ENHANCED CONTRAST BASF SE (DE) 2013-01-09 EP disclosed
US-8148358-B2 Blue colour filters with enhanced contrast BASF SE (DE) 2012-04-03 US disclosed
US-20110294385-A1 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2011-12-01 US disclosed
EP-2387600-A2 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2011-11-23 EP disclosed
US-20110254954-A1 APPARATUS AND METHOD FOR AUTOMATICALLY ADJUSTING POSITIONS OF MICROPHONE HON HAI PRECISION INDUSTRY CO., LTD. (TW) 2011-10-20 US disclosed
US-20100227199-A1 Blue Colour Filters with Enhanced Contrast CIBA CORPORATION 2010-09-09 US disclosed
WO-2010081625-A2 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION BASF SE (DE) 2010-07-22 WO disclosed
US-7517403-B2 Bismuth-containing pigment solid solutions CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-04-14 US disclosed
EP-1984457-A2 BLUE COLOUR FILTERS WITH ENHANCED CONTRAST Ciba Holding Inc. (CH) 2008-10-29 EP disclosed
WO-2007093536-A2 BLUE COLOUR FILTERS WITH ENHANCED CONTRAST CIBA HOLDING INC. (CH) 2007-08-23 WO disclosed
EP-0761772-B1 Soluble chromophors containing solubility-enhancing groups which separate easily therefrom CIBA SC HOLDING AG (CH) 2000-03-15 EP disclosed
EP-0929609-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR USE Ciba SC Holding AG (CH) 1999-07-21 EP disclosed
US-5871882-A High capacity recording media CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-02-16 US disclosed
US-5851621-A High-capacity storage media CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-12-22 US disclosed
US-5750758-A DEHYDRATION OF CARBONIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 US disclosed
WO-1998014520-A1 SUBSTITUTED PHTHALOCYANINES AND THEIR USE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-04-09 WO disclosed
EP-0822546-A2 Storage medium with large capacity Ciba SC Holding AG (CH) 1998-02-04 EP disclosed
EP-0805441-A1 High capacity optical recording medium containing xanthene dyes Ciba SC Holding AG (CH) 1997-11-05 EP disclosed
EP-0764628-A1 Diesters of pyrocarbonic acid, their preparation and their use Ciba SC Holding AG (CH) 1997-03-26 EP disclosed
EP-0761772-A1 Soluble chromophors containing solubility-enhancing groups which separate easily therefrom Ciba SC Holding AG (CH) 1997-03-12 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 (2 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-20100227199-A1 Blue Colour Filters with Enhanced Contrast NR1H4, NR1D1, NR1D2 GABRA1 1176/4885GABRB2 757/4885POLB 3843/4885
US-20110294385-A1 ORGANIC BLACK PIGMENTS AND THEIR PREPARATION IK, CRY1, PAH GABRA1 4290/4885GABRB2 4779/4885POLB 1547/4885

“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.