SCHEMBL1454038

SCHEMBL1454038

CC1=C(CCC2C=Cc3ccccc32)C2=Cc3ccccc3CC2=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL1453601 0.88 HTR6 (0.40) HTR6CYP11B1CYP11B2PTGS2
SCHEMBL1454242 0.81 HTR6 (0.33) HTR6
SCHEMBL1453055 0.81 PTGS2 (0.37) CYP11B1CYP11B2PTGS2
SCHEMBL1453622 0.81 CYP11B2 (0.41) CYP11B1CYP11B2PTGS2
SCHEMBL1453878 0.80 CYP11B1 (0.32) CYP11B1CYP11B2PTGS2
SCHEMBL1454536 0.76 HTR6 (0.35) HTR6
SCHEMBL1453298 0.76 HTR2A (0.42) HTR6
SCHEMBL1453518 0.75 HTR6 (0.34) HTR6
SCHEMBL1453738 0.75 CYP11B2 (0.41) CYP11B1CYP11B2PTGS2
SCHEMBL1453266 0.75 HTR1A (0.41) CYP11B1CYP11B2PTGS2

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-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 HTR6 3192/4885CYP11B1 1650/4885CYP11B2 2357/4885

“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.