SCHEMBL8964471

SCHEMBL8964471

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nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
KDM4E B2RXH2 2/20 0.32
THRB P10828 2/20 0.32
RECQL P46063 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 5/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 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
SCHEMBL4981183 0.81 FFAR3 (0.35) FFAR3LCKFYNKDM4ETHRB
SCHEMBL6970706 0.69 FFAR3 (0.35) FFAR3LCKFYNKDM4ETHRB
SCHEMBL42490 0.67
SCHEMBL7525656 0.67 CYP2D6 (0.41) KDM4ETHRBRECQLCYP2D6CYP2C19
SCHEMBL28719441 0.67 CYP2D6 (0.41) THRBRECQLCYP2D6CYP2C19ALDH1A1
SCHEMBL1696899 0.67
SCHEMBL28657159 0.67 KDM4E (0.41) FFAR3LCKFYNKDM4ETHRB
SCHEMBL15740599 0.67
SCHEMBL3743107 0.67
SCHEMBL43654 0.65 ALDH1A1 (0.38) THRBRECQLCYP2D6CYP2C19ALDH1A1

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-8969549-B2 Antioxidant small molecules aimed at targeting metal-based oxidative stress in neurogenerative disorders TEXAS CHRISTIAN UNIVERSITY (US) 2015-03-03 US disclosed
US-20140206862-A1 Antioxidant Small Molecules Aimed at Targeting Metal-Based Oxidative Stress in Neurogenerative Disorders TEXAS CHRISTIAN UNIVERSITY (US) 2014-07-24 US disclosed
WO-2014113624-A1 ANTIOXIDANT SMALL MOLECULES AIMED AT TARGETING METAL-BASED OXIDATIVE STRESS IN NEURODEGNERATIVE DISORDERS TEXAS CHRISTIAN UNIVERSITY (US) 2014-07-24 WO disclosed
US-5548060-A ALKYLSULFONATION WITH A SULTONE PENN STATE RESEARCH FOUNDATION, INC. (US) 1996-08-20 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-20140206862-A1 Antioxidant Small Molecules Aimed at Targeting Metal-Based Oxidative Stress in Neurogenerative Disorders PYCR1, PRNP, NLN FFAR3 3148/4885LCK 4048/4885FYN 591/4885

“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.