SCHEMBL3853687

SCHEMBL3853687

c1ccc(Cn2c3c(c4cc(-c5ccc(OCc6nnn[nH]6)cc5)ccc42)CCCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
FABP4 P15090 3/20 0.43
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FABP3 P05413 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL3859716 0.83 ALOX5 (0.45) HTR6PTGS1PTGS2
SCHEMBL3854484 0.81 PLK4 (0.43)
SCHEMBL3860461 0.80 HTR6 (0.50) HTR6CA1CA2FABP4PTGS1
SCHEMBL3857091 0.80 ESR1 (0.48) PTGS2
SCHEMBL3851703 0.80 PLA2G2A (0.39) ADAMTS5
SCHEMBL3850876 0.79 PLA2G2A (0.51)
SCHEMBL3859121 0.79 HTR6 (0.67) HTR6CA1CA2FABP4PTGS1
SCHEMBL3852363 0.78 FABP4 (0.53) HTR6CA1CA2FABP4PTGS1
SCHEMBL3853296 0.77 CA1 (0.59) HTR6CA1CA2FABP4PTGS1
SCHEMBL3853290 0.76 ESR1 (0.40) ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US claimed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 US claimed
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT HTR6 18/4885CA1 2159/4885CA2 2739/4885

“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.