SCHEMBL3781870

SCHEMBL3781870

CCCCOc1c(N)cccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
LIPG Q9Y5X9 2/20 0.41
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MCHR1 Q99705 1/20 0.38
POLB P06746 1/20 0.38
TLR4 O00206 1/20 0.37
LTA4H P09960 2/20 0.36
NR5A1 Q13285 1/20 0.35
LPL P06858 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL3789584 0.92 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL3792278 0.84 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL3786211 0.81 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1LIPG
SCHEMBL3982711 0.80 KDM4E (0.45) ALDH1A1LIPGKDM4EPOLBLTA4H
SCHEMBL3316363 0.80 THRA (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1LIPG
SCHEMBL9751833 0.80 SCN8A (0.41) ALDH1A1LIPGLTA4HLMNA
SCHEMBL28471208 0.77 TSHR (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL3790374 0.77 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL3783707 0.76 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL17493148 0.75 ALDH1A1 (0.60) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10

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.