SCHEMBL3789699

SCHEMBL3789699

CC(C)(C)Oc1c(N)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 2/20 0.43
NR4A2 P43354 3/20 0.42
CYP3A4 P08684 1/20 0.39
PIK3CA P42336 1/20 0.39
BCHE P06276 6/20 0.38
ACHE P22303 6/20 0.38
KCNH2 Q12809 2/20 0.37
POLB P06746 1/20 0.33
CHEK1 O14757 1/20 0.32
FLT3 P36888 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRK1 P41145 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
SCHEMBL13020125 0.85 KMT2A (0.38) ALDH1A1TSHRKCNH2POLBKMT2A
SCHEMBL7928096 0.80 TSHR (0.43) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL3789902 0.79 L3MBTL1 (0.39) TSHRKCNH2POLBKMT2AHTR1A
SCHEMBL13489644 0.78 KDM4E (0.45) ALDH1A1TSHRCYP3A4KCNH2POLB
SCHEMBL110638 0.77 ALDH1A1 (0.52) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL29398608 0.77 ALDH1A1 (0.52) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL3790638 0.73 KCNH2 (0.45) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL3786877 0.73 KCNH2 (0.45) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL3790840 0.73 ENPP2 (0.34) ALDH1A1TSHRCYP3A4PIK3CAKCNH2
SCHEMBL10437707 0.72 ALDH1A1 (0.47) ALDH1A1TSHRNR4A2CYP3A4PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4339/4885TSHR 1688/4885NR4A2 888/4885

“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.