SCHEMBL3785252

SCHEMBL3785252

CCCOc1cccc(OCCC)c1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
CYP2A6 P11509 1/20 0.42
HTR2B P41595 2/20 0.41
HTR2C P28335 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
CHRM2 P08172 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HIF1A Q16665 2/20 0.38

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
SCHEMBL3789201 0.90 CYP1A2 (0.52) MCHR1HTR2BCYP1A2CYP2C9CYP2C19
SCHEMBL15430194 0.89 MEN1 (0.49) MCHR1HTR2BCYP1A2CYP2C9CYP2C19
SCHEMBL29952625 0.88 L3MBTL1 (0.44) MCHR1CYP2A6HTR2BHTR2CCYP1A2
SCHEMBL3316374 0.88 L3MBTL1 (0.44) MCHR1CYP2A6HTR2BHTR2CCYP1A2
SCHEMBL15430193 0.87 LMNA (0.51) MCHR1HTR2BCYP1A2CYP2C9CYP2C19
SCHEMBL3790902 0.83 ALDH1A1 (0.47) CYP2A6CYP1A2CYP2C19KMT2AMAPT
SCHEMBL15430195 0.82 KDR (0.40) NPC1RAB9ALMNAMAPTGAA
SCHEMBL1684575 0.80 LIPE (0.59) MCHR1CYP2A6HTR2BHTR2CCYP1A2
SCHEMBL29952366 0.80 LIPE (0.59) MCHR1CYP2A6HTR2BHTR2CCYP1A2
SCHEMBL3784042 0.79 CHRM2 (0.46) MCHR1CYP2A6CYP1A2CYP2C9CYP2C19

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 MCHR1 4010/4885CYP2A6 333/4885HTR2B 1413/4885

“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.