SCHEMBL3786211

SCHEMBL3786211

CCCCOc1cccc(B(O)O)c1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CHRM2 P08172 3/20 0.45
LMNA P02545 2/20 0.45
CHRM1 P11229 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
KCNH2 Q12809 1/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
MCHR1 Q99705 2/20 0.42
LIPE Q05469 1/20 0.41
ENPP2 Q13822 1/20 0.40
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL3784042 0.91 CHRM2 (0.46) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL25887781 0.89 SMN1; SMN2 (0.41) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL29952115 0.84 LIPE (0.58) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL1660589 0.84 LIPE (0.58) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL1238407 0.83 LMNA (0.60) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL3781870 0.81 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LMNATSHR
SCHEMBL3982711 0.81 KDM4E (0.45) KCNH2LIPGENPP2KMT2AMEN1
SCHEMBL3316363 0.81 THRA (0.42) CYP1A2CYP2C9CYP2C19TSHRSMN1; SMN2
SCHEMBL9751833 0.81 SCN8A (0.41) LMNALIPGKMT2AMEN1ALDH1A1
SCHEMBL3790374 0.81 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19CHRM2LMNA

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.