SCHEMBL1453266

SCHEMBL1453266

CC1=C(CCC2=Cc3ccccc3C2)C2=Cc3ccccc3CC2=C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2B P41595 2/20 0.41
ACHE P22303 1/20 0.40
PTGS2 P35354 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DRD2 P14416 3/20 0.33
DRD4 P21917 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL1453622 0.93 CYP11B2 (0.41) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1454530 0.87 ACHE (0.40) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1454044 0.85 PTGS2 (0.33) ACHEPTGS2CYP11B1CYP11B2DRD2
SCHEMBL1452435 0.84 HTR1A (0.37) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1453738 0.83 CYP11B2 (0.41) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1453680 0.78 ACHE (0.37) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL577446 0.78 HTR1A (0.57) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1453699 0.77 ACHE (0.36) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1453055 0.77 PTGS2 (0.37) HTR2ADRD3HTR2BACHEPTGS2
SCHEMBL1453837 0.76 PTGS2 (0.33) ACHEPTGS2CYP11B1CYP11B2DRD2

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 HTR1A 3242/4885HTR2A 4085/4885HTR7 3598/4885

“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.