SCHEMBL3789398

SCHEMBL3789398

COc1cccc(N)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 2/20 0.59
ADRA2B P18089 1/20 0.59
PTGS1 P23219 1/20 0.59
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
FGB P02675 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2A P29274 1/20 0.47
PPARG P37231 1/20 0.47
RAB9A P51151 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FABP4 P15090 2/20 0.46
FABP3 P05413 1/20 0.46

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
SCHEMBL3785707 0.86 ALDH1A1 (0.52) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL355567 0.85 CA1 (0.57) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL30816756 0.85 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL7276398 0.85 ALDH1A1 (0.65) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL28245636 0.85 ALDH1A1 (0.50) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL6263322 0.84 ALDH1A1 (0.56) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL4965452 0.83 ALDH1A1 (0.43) ALDH1A1TDP1ADRA2BPTGS1MAPT
SCHEMBL3785992 0.83 ALDH1A1 (0.48) ALDH1A1TDP1ADRA2BPTGS1MAPT
Benzene SCHEMBL28977457 0.83 CA1 (0.55) ALDH1A1TDP1ADRA2BPTGS1MAPT
Hydrochloric Acid SCHEMBL30310852 0.83 CA1 (0.55) ALDH1A1TDP1ADRA2BPTGS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070089784-A1 Solar cell-driven display device and method of manufacturing thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-04-26 US claimed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20070089784-A1 Solar cell-driven display device and method of manufacturing thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-04-26 US disclosed
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices HIROSE ENGINEERING CO., LTD. (JP) 2006-07-13 US disclosed
EP-1650208-A1 WHITE-EMITTING COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND WHITE-EMITTING DEVICES HIROSE ENGINEERING CO., LTD. (JP) 2006-04-26 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 (2 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885TDP1 4196/4885ADRA2B 2587/4885
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices IWS1, WNT1, CYP1A1 ALDH1A1 39/4885TDP1 3593/4885ADRA2B 1732/4885

“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.