SCHEMBL3785269

SCHEMBL3785269

CCCCOc1cc(Cl)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
TSHR P16473 4/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN1A P35498 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
HIF1A Q16665 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAPT P10636 3/20 0.46
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 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
SCHEMBL29684233 0.95 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL3784669 0.91 MAPT (0.51) CYP1A2CYP2C9CYP2C19BCHEACHE
SCHEMBL3787403 0.86 MAPT (0.58) CYP1A2CYP2C9CYP2C19TSHRCYP2D6
SCHEMBL8263900 0.84 LMNA (0.48) CYP1A2CYP2C9CYP2C19TSHRMAPT
SCHEMBL315662 0.83 ALDH1A1 (0.66) TSHRMAPTALDH1A1POLBMEN1
SCHEMBL3794601 0.83 L3MBTL1 (0.53) CYP1A2CYP2C9CYP2C19TSHRMAPT
SCHEMBL29684472 0.82 HTR2C (0.49) TSHRMAPTALDH1A1POLBMEN1
SCHEMBL15716191 0.82 HTR2C (0.49) TSHRMAPTALDH1A1POLBMEN1
SCHEMBL4120868 0.82 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19TSHRMAPT
SCHEMBL9073465 0.81 ALDH1A1 (0.69) CYP1A2CYP2C9CYP2C19BCHEACHE

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.