SCHEMBL3790246

SCHEMBL3790246

NOB(O)c1ccc(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
L3MBTL1 Q9Y468 5/20 0.50
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 3/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3790811 0.81 TDP1 (0.57) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL3783533 0.80 TSHR (0.50) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL3782024 0.79 RAB9A (0.52) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL3781716 0.79 ALDH1A1 (0.58) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL2588443 0.77 ALDH1A1 (0.72) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL23812434 0.77 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL3792776 0.76 TDP1 (0.51) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL1548979 0.76 ALDH1A1 (0.67) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL16016786 0.76 ALDH1A1 (0.67) ALDH1A1L3MBTL1TDP1TSHRCYP3A4
SCHEMBL50441 0.75 ALDH1A1 (0.89) ALDH1A1L3MBTL1TDP1TSHRCYP3A4

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 ALDH1A1 4339/4885L3MBTL1 3838/4885TDP1 4196/4885

“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.