SCHEMBL2006092

SCHEMBL2006092

CC1=Nc2ccc(CCO)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.36
CA2 P00918 1/20 0.33
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
LRRK2 Q5S007 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30

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
SCHEMBL11581329 0.85 MEN1 (0.38) ALOX5MAPTMEN1KMT2APDK2
SCHEMBL29836971 0.83 SKP2 (0.46) ALDH1A1MEN1KMT2ACA2RAB9A
SCHEMBL11580037 0.81 KMT2A (0.37) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL8390740 0.78 CA2 (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8390737 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL31142510 0.74 MEN1 (0.39) MEN1KMT2ATDP1CASP3RAB9A
SCHEMBL661200 0.74 MEN1 (0.39) MEN1KMT2ATDP1CASP3RAB9A
SCHEMBL10035871 0.74 MEN1 (0.39) MEN1KMT2ATDP1CASP3RAB9A
SCHEMBL18386310 0.74 SMN1; SMN2 (0.42) MAPTMEN1KMT2ACYP4F2CYP4A11
SCHEMBL4358306 0.73 HSD17B10 (0.36) MEN1KMT2APDK2TDP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-7964361-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2011-06-21 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 US disclosed
US-20090281279-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2009-11-12 US disclosed
WO-2008157762-A2 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-12-24 WO disclosed
US-7408062-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2008-08-05 US disclosed
US-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY 2007-10-18 US disclosed
US-6686145-B1 IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS BY COVALENT AND NONCOVALENT ASSOCIATION CARNEGIE MELLON UNIVERSITY 2004-02-03 US disclosed
US-20030224391-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY 2003-12-04 US disclosed
EP-1042407-B1 RIGIDIZED TRIMETHINE CYANINE DYES UNIV CARNEGIE MELLON (US) 2001-09-12 EP disclosed
US-6133445-A USEFUL FOR IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS CARNEGIE MELLON UNIVERSITY (US) 2000-10-17 US disclosed
EP-1042407-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE-MELLON UNIVERSITY (US) 2000-10-11 EP disclosed
WO-1999031181-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY (US) 1999-06-24 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 (4 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-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES SIGMAR1, CBR1, NR0B1 KDM4E 771/4885ALDH1A1 1428/4885ALOX5 2278/4885
US-20090281279-A1 Rigidized trimethine cyanine dyes CD47, TLN1, TPM4 KDM4E 174/4885ALDH1A1 3193/4885ALOX5 4785/4885
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE KDM4E 3420/4885ALDH1A1 3978/4885ALOX5 4449/4885
US-20030224391-A1 Rigidized trimethine cyanine dyes CBR1, TH, CBR3 KDM4E 408/4885ALDH1A1 2154/4885ALOX5 3057/4885

“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.