SCHEMBL13714647

SCHEMBL13714647

C1=CC2(OCCO2)Oc2c1ccc1occc21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL13714703 0.68 KDM4E (0.34)
SCHEMBL29657636 0.67 CYP1A1 (0.40) HTR2AHTR2CHTR2B
SCHEMBL6714839 0.64 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL4429415 0.61 PAX8 (0.48) HTR2AHTR2CHTR2B
SCHEMBL18527205 0.60 HTR2A (0.36) HTR2AHTR2CHTR2B
SCHEMBL3633037 0.59 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL29474440 0.59 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL17426271 0.57 PAX8 (0.45) HTR2AHTR2CHTR2B
SCHEMBL12278144 0.57 PAX8 (0.45) HTR2AHTR2CHTR2B
SCHEMBL13714699 0.57 HTR2A (0.31) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576124-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-7576124-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-7576123-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-7576123-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2009-08-18 US disclosed
US-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2008-02-14 US disclosed
US-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2008-02-14 US disclosed
US-20070244188-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2007-10-18 US disclosed
US-20070244188-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS BIOAVAILABILITY SYSTEMS, LLC (US) 2007-10-18 US disclosed
US-7230027-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2007-06-12 US disclosed
US-7230027-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2007-06-12 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 (2 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-20070244188-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS FABP2, ABCG2, NPSR1 HTR2A 21/4885HTR2C 80/4885HTR2B 43/4885
US-20080039520-A1 ANTI-FIRST-PASS EFFECT COMPOUNDS ABCG2, FABP2, HDLBP HTR2A 171/4885HTR2C 346/4885HTR2B 152/4885

“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.