SCHEMBL3781111

SCHEMBL3781111

CCOC(=O)N(C(=O)OCC)c1ccccc1.OBO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 2/20 0.44
GLA P06280 1/20 0.43
TP53 P04637 1/20 0.42
PIN1 Q13526 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5933087 0.87 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL5933074 0.86 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7293158 0.86 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL5933058 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL10869589 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11688083 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL5933048 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27382574 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11211446 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL3781711 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKMT2ALMNA

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 4339/4885HSD17B10 1100/4885CYP1A2 170/4885

“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.