SCHEMBL3784952

SCHEMBL3784952

OB(O)c1ccc(C2CCC2)cc1C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.39
ACMSD Q8TDX5 2/20 0.38
ESR2 Q92731 7/20 0.37
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ESR1 P03372 5/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMO O15229 1/20 0.34

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
SCHEMBL3783960 0.96 ACMSD (0.41) QDPRACMSDHDAC4HDAC2HDAC8
SCHEMBL3785181 0.95 ACMSD (0.42) QDPRACMSDHDAC4HDAC2HDAC8
SCHEMBL3793166 0.92 QDPR (0.41) QDPRACMSDESR2HDAC2ESR1
SCHEMBL3791565 0.85 QDPR (0.39) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL3784167 0.84 HDAC2 (0.39) QDPRACMSDESR2HDAC4HDAC2
SCHEMBL3788494 0.81 HDAC8 (0.42) QDPRACMSDHDAC4HDAC2HDAC8
SCHEMBL3790400 0.80 KMO (0.44) QDPRACMSDHDAC4HDAC2HDAC8
SCHEMBL3784683 0.80 BACE1 (0.41) QDPRACMSDHDAC4HDAC2HDAC8
SCHEMBL3786353 0.80 HTR1D (0.37)
SCHEMBL3791189 0.79 BACE1 (0.44) QDPRACMSDHDAC4HDAC2HDAC8

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 QDPR 339/4885ACMSD 1932/4885ESR2 2747/4885

“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.