SCHEMBL3786534

SCHEMBL3786534

CCc1c(C)cccc1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LPL P06858 1/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
ENPP2 Q13822 1/20 0.34
SCN4A P35499 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
KCNK3 O14649 1/20 0.34
CACNA1F O60840 1/20 0.34
KCNK2 O95069 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
SCHEMBL3188998 0.78 GABRA1 (0.38) LIPGALDH1A1LPLENPP2LMNA
SCHEMBL1762931 0.78 GABRA1 (0.48) LIPGLPLENPP2SCN5AKCNH2
SCHEMBL597056 0.78 CYP2A6 (0.45) ALDH1A1NOS3NOS2CYP1A2TSHR
SCHEMBL3781848 0.77 LIPG (0.36) LIPGALDH1A1LPLENPP2TSHR
SCHEMBL984719 0.73 TRPA1 (0.52) ALDH1A1NOS3NOS2LMNACYP1A2
SCHEMBL10781528 0.73 NOS3 (0.38) ALDH1A1NOS3NOS2CYP1A2TSHR
SCHEMBL30228541 0.72 TAAR1 (0.36) LIPGNOS3NOS2SCN8AGABRA1
SCHEMBL5546834 0.72 CLCN2 (0.42) ALDH1A1TSHR
SCHEMBL309076 0.72 TRPA1 (0.50) LIPGALDH1A1LPLENPP2CYP1A2
SCHEMBL29479067 0.72 TRPA1 (0.50) LIPGALDH1A1LPLENPP2CYP1A2

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 LIPG 3010/4885ALDH1A1 4339/4885LPL 3816/4885

“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.