SCHEMBL2011496

SCHEMBL2011496

CC1Nc2ccc(CC(=O)O)cc2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.40
TSHR P16473 3/20 0.40
NFKB1 P19838 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL7067940 0.77 RXRA (0.43) KDM4EHPGDHSD17B10ALDH1A1NFKB1
SCHEMBL17316510 0.73 PGR (0.48) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL304685 0.70 CA1 (0.38) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL560834 0.69 CA1 (0.38) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL23724053 0.68 CYP26B1 (0.34) ALDH1A1GAATDP1CYP26B1
SCHEMBL6148042 0.67 CYP26A1 (0.71) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6144438 0.67 CYP26A1 (0.58) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL30019816 0.67 PDK2 (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL20975416 0.67 PDK2 (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL5670401 0.66 ALDH1A1 (0.39) KDM4EHPGDHSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248203-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2016-02-02 US disclosed
US-9089603-B2 Fluorescent imaging with substituted cyanine dyes LI-COR, INC. (US) 2015-07-28 US disclosed
US-20130280172-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES MIDCAP FINANCIAL TRUST 2013-10-24 US disclosed
US-20130039860-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2013-02-14 US disclosed
US-20120183949-A1 Method, device, or system using lung sensor for detecting a physiological condition in a vertebrate subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2012-07-19 US disclosed
WO-2012054784-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES LI-COR, INC. (US) 2012-04-26 WO disclosed
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 (5 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 771/4885HPGD 4302/4885HSD17B10 724/4885
US-20090281279-A1 Rigidized trimethine cyanine dyes CD47, TLN1, TPM4 KDM4E 174/4885HPGD 4535/4885HSD17B10 4520/4885
US-20030224391-A1 Rigidized trimethine cyanine dyes CBR1, TH, CBR3 KDM4E 408/4885HPGD 4367/4885HSD17B10 2451/4885
US-20130280172-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES TIE1, ALG1, MSR1 KDM4E 2199/4885HPGD 1834/4885HSD17B10 3351/4885
US-20130039860-A1 FLUORESCENT IMAGING WITH SUBSTITUTED CYANINE DYES TIE1, ALG1, MSR1 KDM4E 2199/4885HPGD 1834/4885HSD17B10 3351/4885

“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.