SCHEMBL3790065

SCHEMBL3790065

OB(O)c1cccc(C2CC2)c1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
ABCB1 P08183 2/20 0.35
HTR2C P28335 3/20 0.34
PDK2 Q15119 6/20 0.34
PDK4 Q16654 4/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDK1 Q15118 1/20 0.33
ENPP2 Q13822 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3789911 0.92 ABCB1 (0.36) NOTUMABCB1HTR2C
SCHEMBL3790557 0.92 ABCB1 (0.33) NOTUMABCB1HTR2CCHRNB2CHRNA4
SCHEMBL30002535 0.91 ABCB1 (0.39) NOTUMABCB1
SCHEMBL3789806 0.91 ABCB1 (0.39) NOTUMABCB1
SCHEMBL4345990 0.89 CHRNB2 (0.39) NOTUMABCB1CHRNB2CHRNA4ENPP2
SCHEMBL3787278 0.82 ABCB1 (0.32) NOTUMABCB1PDK2CHRNB2CHRNA4
SCHEMBL29469211 0.81 ENPP2 (0.40) NOTUMHTR2CENPP2DRD2SLC6A4
SCHEMBL3784784 0.81 ENPP2 (0.40) NOTUMHTR2CENPP2DRD2SLC6A4
SCHEMBL3786616 0.78 NOTUM (0.37) NOTUMHTR2CPDK2PDK4PDK1
SCHEMBL23043664 0.78 SMN1; SMN2 (0.40) NOTUMHTR2C

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 NOTUM 36/4885ABCB1 826/4885HTR2C 1200/4885

“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.