SCHEMBL3789808

SCHEMBL3789808

NOB(O)c1cc(C2CC2)ccc1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QDPR P09417 5/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
ESR2 Q92731 2/20 0.32
KLKB1 P03952 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL3786459 0.94 KMO (0.39) HDAC2HDAC3HDAC1ESR2HDAC4
SCHEMBL3791039 0.86 QDPR (0.33) QDPRHDAC2HDAC3HDAC1ESR2
SCHEMBL3788813 0.82 QDPR (0.41) QDPRHDAC2HDAC3HDAC1ESR2
SCHEMBL3785466 0.81 ACMSD (0.38) HDAC2HDAC3HDAC1ESR2HDAC4
SCHEMBL3788494 0.75 HDAC8 (0.42) QDPRHDAC2HDAC1HDAC4HDAC8
SCHEMBL3791565 0.75 QDPR (0.39) QDPRHDAC2ESR2HDAC4HDAC8
SCHEMBL3790400 0.74 KMO (0.44) QDPRHDAC2HDAC1HDAC4HDAC8
SCHEMBL3787278 0.72 ABCB1 (0.32)
SCHEMBL3787947 0.71 CHRNB2 (0.30)
SCHEMBL3793166 0.71 QDPR (0.41) QDPRHDAC2HDAC3HDAC1ESR2

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 339/4885HDAC2 549/4885HDAC3 2675/4885

“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.