SCHEMBL3789201

SCHEMBL3789201

CCCCOc1cccc(OCCCC)c1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MCHR1 Q99705 3/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP19A1 P11511 1/20 0.41
HTR1B P28222 1/20 0.41
LTA4H P09960 2/20 0.40
CNR1 P21554 1/20 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
SCHEMBL15430194 0.94 MEN1 (0.49) CYP1A2CYP2C9CYP2C19MCHR1KMT2A
SCHEMBL15430193 0.93 LMNA (0.51) CYP1A2CYP2C9CYP2C19MCHR1KMT2A
SCHEMBL3785252 0.90 MCHR1 (0.44) CYP1A2CYP2C9CYP2C19MCHR1KMT2A
SCHEMBL29954630 0.88 L3MBTL1 (0.46) CYP1A2CYP2C9CYP2C19MCHR1KMT2A
SCHEMBL12538526 0.88 L3MBTL1 (0.46) CYP1A2CYP2C9CYP2C19MCHR1KMT2A
SCHEMBL12074071 0.85 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19MCHR1KMT2A
SCHEMBL3790902 0.82 ALDH1A1 (0.47) CYP1A2CYP2C19KMT2AMEN1MAPT
SCHEMBL15430195 0.81 KDR (0.40) LMNAMAPT
SCHEMBL18171928 0.81 LIPE (0.44) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL18171925 0.81 LIPE (0.44) KMT2AMEN1NR1I2LMNACHRM2

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.