SCHEMBL3468065

SCHEMBL3468065

CCCN1C(=Cc2c(OCC)c(=O)c2=O)C(C)(C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 4/20 0.45
GPR55 Q9Y2T6 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 4/20 0.42
USP2 O75604 3/20 0.42
LMNA P02545 7/20 0.39
HTT P42858 6/20 0.39
GLA P06280 1/20 0.38
TP53 P04637 3/20 0.36
THRB P10828 2/20 0.36
POLB P06746 3/20 0.36
CBX7 O95931 1/20 0.35
CDYL Q9Y232 1/20 0.35

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
SCHEMBL3468060 1.00 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19815097 0.86 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL21314805 0.86 KMT2A (0.41) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7750488 0.84 ALDH1A1 (0.46) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7745679 0.84 ALDH1A1 (0.46) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12156970 0.82 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13103144 0.82 ALDH1A1 (0.38) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17627888 0.81 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15947424 0.81 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5515255 0.81 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362884-B1 A DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED SONY CORP (JP) 2017-08-02 EP disclosed
US-9679702-B2 Dye comprising a chromophore to which an acyloin group is attached SONY CORPORATION (JP) 2017-06-13 US disclosed
EP-2208212-B1 A DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE SONY CORP (JP) 2015-12-09 EP disclosed
US-20140224330-A1 DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED SONY CORPORATION (JP) 2014-08-14 US disclosed
US-8445697-B2 Squarylium dyes including an anchoring group SONY CORPORATION (JP) 2013-05-21 US disclosed
US-8445697-B2 Squarylium dyes including an anchoring group SONY CORPORATION (JP) 2013-05-21 US disclosed
US-8440840-B2 Dye including an anchoring group in its molecular structure SONY CORPORATION (JP) 2013-05-14 US disclosed
US-8440840-B2 Dye including an anchoring group in its molecular structure SONY CORPORATION (JP) 2013-05-14 US disclosed
US-20110265878-A1 DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED SONY CORPORATION (JP) 2011-11-03 US disclosed
US-20100300521-A1 SQUARYLIUM DYES INCLUDING AN ANCHORING GROUP SONY CORPORATION (JP) 2010-12-02 US disclosed
US-20100300521-A1 SQUARYLIUM DYES INCLUDING AN ANCHORING GROUP SONY CORPORATION (JP) 2010-12-02 US disclosed
US-20100212737-A1 DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE SONY CORPORATION (JP) 2010-08-26 US disclosed
US-20100212737-A1 DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE SONY CORPORATION (JP) 2010-08-26 US disclosed
EP-2208212-A1 A DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE Sony Corporation (JP) 2010-07-21 EP disclosed
EP-2112671-A1 A dye including an anchoring group in its molecular structure Sony Corporation (JP) 2009-10-28 EP disclosed
WO-2009053108-A1 A DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE SONY CORPORATION (JP) 2009-04-30 WO disclosed
WO-2009053108-A1 A DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE SONY CORPORATION (JP) 2009-04-30 WO disclosed
EP-2053618-A1 A dye including an anchoring group in its molecular structure Sony Corporation (JP) 2009-04-29 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 (3 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-20100300521-A1 SQUARYLIUM DYES INCLUDING AN ANCHORING GROUP SQLE, SPR, FDFT1 MAPT 2829/4885KMT2A 3608/4885MEN1 4193/4885
US-20110265878-A1 DYE COMPRISING A CHROMOPHORE TO WHICH AN ACYLOIN GROUP IS ATTACHED ACOT7, ABHD5, MBOAT4 MAPT 3297/4885KMT2A 1836/4885MEN1 2531/4885
US-20100212737-A1 DYE INCLUDING AN ANCHORING GROUP IN ITS MOLECULAR STRUCTURE CBR3, CYB5R3, CBR1 MAPT 4054/4885KMT2A 2301/4885MEN1 4544/4885

“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.