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
SCHEMBL1660589 0.84 LIPE (0.58) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL29952115 0.84 LIPE (0.58) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL1238407 0.83 LMNA (0.60) CYP1A2CYP2C9CYP2C19CHRM2LMNA
SCHEMBL9751833 0.81 SCN8A (0.41) LMNALIPGKMT2AMEN1ALDH1A1
SCHEMBL3316363 0.81 THRA (0.42) CYP1A2CYP2C9CYP2C19TSHRSMN1; SMN2
SCHEMBL3982711 0.81 KDM4E (0.45) KCNH2LIPGENPP2KMT2AMEN1
SCHEMBL3781870 0.81 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LMNATSHR
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.

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