SCHEMBL3789584

SCHEMBL3789584

CCCOc1c(N)cccc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
MCHR1 Q99705 1/20 0.36
TLR4 O00206 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
LIPE Q05469 1/20 0.34

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
SCHEMBL3781870 0.92 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3792278 0.86 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3784042 0.81 CHRM2 (0.46) CYP1A2CYP2C9CYP2C19MCHR1LIPG
SCHEMBL28092527 0.80 CD44 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3314900 0.79 ALDH1A1 (0.39) CYP1A2CYP2C19ALDH1A1KDM4EKMT2A
SCHEMBL6250352 0.78 LIPG (0.38) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL28349396 0.77 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3786687 0.76 MCHR1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3787782 0.76 ENPP2 (0.47) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL3786689 0.75 L3MBTL1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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 CYP1A2 170/4885CYP2C9 157/4885CYP2C19 196/4885

“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.