SCHEMBL3853296

SCHEMBL3853296

Oc1ccc(-c2ccc3c(c2)c2c(n3Cc3ccccc3)CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
FABP4 P15090 4/20 0.56
HTR6 P50406 2/20 0.53
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC10 Q969S8 1/20 0.49
FABP3 P05413 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC2A1 P11166 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL3859121 0.85 HTR6 (0.67) CA1CA2FABP4HTR6PTGS1
SCHEMBL3852363 0.82 FABP4 (0.53) CA1CA2FABP4HTR6HDAC6
SCHEMBL7464584 0.81 CA1 (0.67) CA1CA2FABP4HTR6HDAC6
SCHEMBL3860461 0.80 HTR6 (0.50) CA1CA2FABP4HTR6HDAC6
SCHEMBL3857256 0.80 CA1 (0.65) CA1CA2FABP4HTR6HDAC6
SCHEMBL3853519 0.79 HTR6 (0.52) CA1CA2FABP4HTR6HDAC6
SCHEMBL6045346 0.79 CA1 (0.94) CA1CA2FABP4HTR6HDAC6
SCHEMBL4726486 0.78 KDM4E (0.52) CA1CA2HTR6PTGDR2
SCHEMBL3853687 0.77 HTR6 (0.45) CA1CA2FABP4HTR6HDAC6
SCHEMBL15549306 0.77 CA1 (0.51) CA1CA2FABP4HTR6HDAC6

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-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 CA1 2159/4885CA2 2739/4885FABP4 3815/4885

“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.