SCHEMBL1506854

SCHEMBL1506854

CC1(C)CNc2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2A6 P11509 3/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL30422597 0.83 POLB (0.40) POLBALDH1A1CYP2A6KMT2AMEN1
SCHEMBL29723440 0.75 TP53 (0.37) POLBALDH1A1CYP2A6KMT2AMEN1
SCHEMBL4263305 0.73 TSHR (0.41) POLBALDH1A1CYP2A6KDM4EHPGD
SCHEMBL22175514 0.73 MEN1 (0.49) POLBALDH1A1CYP2A6KMT2AMEN1
SCHEMBL10311218 0.71 HTR5A (0.37) POLBALDH1A1CYP2A6CYP1A2TSHR
SCHEMBL15311418 0.68 HTR5A (0.38) RECQL
SCHEMBL12290744 0.68 TNKS (0.34) ALDH1A1CDK5NOX1
SCHEMBL7906187 0.68 MEN1 (0.44) POLBALDH1A1CYP2A6KMT2AMEN1
SCHEMBL2258047 0.67 BACE1 (0.33)
SCHEMBL15119748 0.67 PDK2 (0.46) POLBALDH1A1CYP2A6KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115634295-A Near-infrared fluorescence/magnetic resonance dual-mode probe and preparation method and application thereof 中国科学院深圳先进技术研究院 2023-01-24 CN disclosed
WO-2020047477-A1 CATIONIC COMPOUNDS FOR DELIVERY OF NUCLEIC ACIDS CITY OF HOPE (US) 2020-03-05 WO disclosed
WO-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 WO disclosed
US-8702815-B2 Cyanoborate, fluoroalkylphosphate, fluoroalkylborate or imide dyes MERCK PATENT GMBH (DE) 2014-04-22 US disclosed
EP-2292700-B1 Cyanoborate dyes MERCK PATENT GMBH (DE) 2011-11-02 EP disclosed
US-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES IGNATYEV NIKOLAI MYKOLA 2011-08-04 US disclosed
US-7939644-B2 cationic dyes used for coloring plastics, fibers, leather and paper, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp inks, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry MERCK PATENT GMBH (DE) 2011-05-10 US disclosed
EP-2292700-A1 Cyanoborate dyes Merck Patent GmbH (DE) 2011-03-09 EP disclosed
EP-1660591-B1 CATIONIC FLUOROALKYL-PHOSPHATE DYES MERCK PATENT GMBH (DE) 2010-10-27 EP disclosed
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
EP-1660591-A1 CYANOBORATE, FLUOROALKYL PHOSPHATE, FLUOROALKYL BORATE OR IMIDE DYES MERCK PATENT GmbH (DE) 2006-05-31 EP disclosed
WO-2005021661-A1 CYANOBORATE, FLUOROALKYL PHOSPHATE, FLUOROALKYL BORATE OR IMIDE DYES MERCK PATENT GMBH (DE) 2005-03-10 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 (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-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES ZAP70, MYLK3, KIT POLB 1510/4885ALDH1A1 1799/4885CYP2A6 4543/4885
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes ZAP70, MYLK3, KIT POLB 1510/4885ALDH1A1 1799/4885CYP2A6 4543/4885

“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.