SCHEMBL3786877

SCHEMBL3786877

CC(C)(C)Oc1cccc(Cl)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 2/20 0.39
TLR8 Q9NR97 1/20 0.38
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 1/20 0.35
TSHR P16473 2/20 0.34
NR4A2 P43354 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL29778856 0.82 GRIA1 (0.42) ALDH1A1TLR8TSHRNR4A2LMNA
SCHEMBL21603543 0.82 GRIA1 (0.42) ALDH1A1TLR8TSHRNR4A2LMNA
SCHEMBL28685257 0.81 KCNH2 (0.46) KCNH2ALDH1A1TSHRNR4A2LMNA
SCHEMBL24252065 0.78 ALDH1A1 (0.41) KCNH2ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL101875 0.78 ALDH1A1 (0.48) ALDH1A1TLR8HSP90AA1HSP90AB1LMNA
SCHEMBL2737124 0.78 LMNA (0.43) KCNH2ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3789902 0.77 L3MBTL1 (0.39) KCNH2TSHRLMNASMN1; SMN2DPP4
SCHEMBL23487743 0.76 TLR8 (0.41) ALDH1A1TLR8HSP90AA1HSP90AB1TSHR
SCHEMBL3790638 0.75 KCNH2 (0.45) KCNH2ALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL18190392 0.75 KCNH2 (0.38) KCNH2ALDH1A1HSP90AA1TSHRLMNA

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 KCNH2 1145/4885ALDH1A1 4339/4885TLR8 2887/4885

“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.