SCHEMBL10107009

SCHEMBL10107009

CCCOCC(N)(COCCCCC=O)COCCCCC=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CES1 P23141 1/20 0.33
HIF1A Q16665 1/20 0.31
P2RY10 O00398 1/20 0.30
USP2 O75604 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
SCHEMBL12759064 0.93 TSHR (0.52) TSHRFAAHTRPV1HTTCES1
SCHEMBL12141000 0.87 HIF1A (0.35) TSHRHIF1A
SCHEMBL469014 0.87 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL12760550 0.87 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL12759067 0.85 HIF1A (0.39) TSHRHIF1A
SCHEMBL12141358 0.84 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL12759069 0.84 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL2413045 0.82 TSHR (0.54) TSHRFAAHTRPV1ALDH1A1HTT
SCHEMBL12759063 0.81 HIF1A (0.36) TSHRHIF1A
SCHEMBL25231629 0.81 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 TSHR 571/4885FAAH 3662/4885TRPV1 2526/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 TSHR 950/4885FAAH 3517/4885TRPV1 2413/4885

“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.