SCHEMBL8959159

SCHEMBL8959159

COc1ccc(O)c(CBr)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
LMNA P02545 1/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ERN1 O75460 1/20 0.47
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL51653 0.83 GAA (0.53) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL805304 0.82 MTNR1A (0.55) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL1638977 0.82 GAA (0.52) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL2060421 0.81 HTR2A (0.47) CA1CA2POLBHSD17B10
SCHEMBL16013328 0.81 GABRA1 (0.59) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL22284793 0.80 GAA (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL21248098 0.80 ALDH1A1 (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL16864025 0.80 GAA (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL620875 0.80 GAA (0.55) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL620874 0.80 GAA (0.55) GAAKDM4EMEN1ALDH1A1MAPT

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-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
CN-101506134-B Process for producing benzaldehyde compound UBE INDUSTRIES 2012-12-05 CN disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY 2010-11-04 US disclosed
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY 2010-11-04 US disclosed
US-7754884-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2010-07-13 US disclosed
US-7754884-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2010-07-13 US disclosed
CN-101506134-A Process for producing benzaldehyde compound UBE INDUSTRIES (JP) 2009-08-12 CN disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US 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-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING TSPO, MKI67, CNR1 GAA 3652/4885KDM4E 3901/4885MEN1 2657/4885
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING TSPO, MKI67, GABRA4 GAA 2620/4885KDM4E 3611/4885MEN1 3250/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 GAA 2620/4885KDM4E 3611/4885MEN1 3250/4885

“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.