SCHEMBL2010886

SCHEMBL2010886

CCOC(CC[N+]1=C(C)C(C)(C)c2cc(CCO)ccc21)OCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL18386212 0.84 LMNA (0.38) MEN1LMNAMAPTTHRBHTT
SCHEMBL20390481 0.83 MEN1 (0.59) MEN1LMNAMAPTTHRBHTT
SCHEMBL12230266 0.80 MEN1 (0.40) MEN1LMNAMAPTTHRBHTT
SCHEMBL2005244 0.78 LMNA (0.41) MEN1LMNAMAPTTHRBHTT
SCHEMBL18386206 0.78 MAPT (0.38) MEN1LMNAMAPTTHRBHTT
SCHEMBL16867351 0.69 MEN1 (0.65) MEN1LMNAMAPTTHRBHTT
SCHEMBL12893718 0.68 MAPT (0.67) MEN1LMNAMAPTTHRBHTT
SCHEMBL12410766 0.66 MAPT (0.46) MEN1LMNAMAPTTHRBHTT
SCHEMBL14048651 0.66 LMNA (0.56) MEN1LMNAMAPTTHRBHTT
SCHEMBL8498493 0.66 MEN1 (0.48) MEN1LMNAMAPTTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964361-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2011-06-21 US disclosed
US-20090281279-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2009-11-12 US 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 (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-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES SIGMAR1, CBR1, NR0B1 MEN1 3950/4885LMNA 3893/4885MAPT 4578/4885
US-20090281279-A1 Rigidized trimethine cyanine dyes CD47, TLN1, TPM4 MEN1 3776/4885LMNA 1516/4885MAPT 2136/4885
US-20030224391-A1 Rigidized trimethine cyanine dyes CBR1, TH, CBR3 MEN1 4371/4885LMNA 3068/4885MAPT 4395/4885

“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.