SCHEMBL31329592

SCHEMBL31329592

C=Cc1ccc(OCCCCCCOc2cc(C)c(Br)c(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PDIA6 Q15084 1/20 0.38
HDAC3 O15379 1/20 0.38
STAT3 P40763 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL29979759 0.85 ALDH1A1 (0.53) PTGS1PTGS2MAOAMAOBPDIA6
SCHEMBL1140632 0.82 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8754087 0.82 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19998971 0.81 CHRNA7 (0.50) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12114958 0.80 CHRNB2 (0.56) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22269652 0.80 CHRNA7 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1260922 0.80 CHRNA7 (0.61) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4906796 0.77 CHRNB2 (0.60) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2937499 0.77 CHRNB2 (0.60) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21183209 0.77 CHRNB2 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026871-A1 CYCLIC RUTHENIUM BENZYLIDENE INITIATORS FOR ENHANCED RING EXPANSION METATHESIS POLYMERIZATION UNIVERSITY OF WASHINGTON (US) 2025-01-23 US 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-20250026871-A1 CYCLIC RUTHENIUM BENZYLIDENE INITIATORS FOR ENHANCED RING EXPANSION METATHESIS POLYMERIZATION MCM7, MCM4, MCM5 CHRNA7 3932/4885CHRNB2 4567/4885CHRNB4 4309/4885

“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.