SCHEMBL3786686

SCHEMBL3786686

CC(C)(C)C(=O)N(C(=O)C(C)(C)C)c1ccccc1.OBO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELANE P08246 1/20 0.36
MAPT P10636 1/20 0.35
CES1 P23141 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
SCHEMBL9474692 0.86 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL27744093 0.79 SMN1; SMN2 (0.56) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9611270 0.77 KMT2A (0.62) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3782136 0.76 MEN1 (0.39) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3780747 0.76 MEN1 (0.40) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3283283 0.75 KMT2A (0.60) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3780927 0.75 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2NPSR1ALDH1A1TSHR
SCHEMBL8946139 0.75 KMT2A (0.60) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7089700 0.73 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9500913 0.73 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9CYP2C19

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 KMT2A 1474/4885MEN1 174/4885CYP3A4 177/4885

“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.