SCHEMBL6509888

SCHEMBL6509888

O=C(O)C=CCCCCCCCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.50
GPR52 Q9Y2T5 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
HRH1 P35367 2/20 0.47
PLA2G1B P04054 5/20 0.43
ATG4B Q9Y4P1 5/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6509883 1.00 TBXAS1 (0.50) TBXAS1GPR52TRPV1HRH1PLA2G1B
SCHEMBL11149396 0.93 GPR52 (0.53) TBXAS1GPR52TRPV1HRH1
SCHEMBL16289717 0.85 TRPV1 (0.64) TBXAS1GPR52TRPV1
SCHEMBL16288651 0.85 TRPV1 (0.64) TBXAS1GPR52TRPV1
SCHEMBL16288652 0.85 TRPV1 (0.64) TBXAS1GPR52TRPV1
SCHEMBL16289982 0.85 TRPV1 (0.64) TBXAS1GPR52TRPV1
SCHEMBL597782 0.85 TRPV1 (0.64) TBXAS1GPR52TRPV1
SCHEMBL16289718 0.85 TRPV1 (0.64) TBXAS1GPR52TRPV1
SCHEMBL1150822 0.83 TRPV1 (0.61) TBXAS1GPR52TRPV1
SCHEMBL1009881 0.83 TRPV1 (0.61) TBXAS1GPR52TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 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-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 TBXAS1 1102/4885GPR52 4759/4885TRPV1 4733/4885

“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.