SCHEMBL5848063

SCHEMBL5848063

C=CCC(Oc1ccc(Cl)cc1C=C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
PPARA Q07869 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL5847078 0.85 PPARA (0.50) TSHRMEN1KMT2AGAAHTR2A
SCHEMBL692616 0.77 PTGDR2 (0.41) FBP1ANO1ANO2TSHRHPGD
SCHEMBL5848198 0.76 ALDH1A1 (0.53) TSHRHPGDMEN1KMT2AGAA
SCHEMBL27727381 0.74 ALOX15 (0.44) TSHRHPGDMEN1KMT2AGAA
SCHEMBL11414032 0.74 TSHR (0.59) TSHRGAAHTR2AHTR2CHTR2B
SCHEMBL10874945 0.72 SMN1; SMN2 (0.53) TSHRHPGDMEN1KMT2AGAA
SCHEMBL21059495 0.72 TSHR (0.64) TSHRHPGDKMT2AGAAHTR2A
SCHEMBL21059493 0.72 TSHR (0.64) TSHRHPGDKMT2AGAAHTR2A
SCHEMBL1935421 0.72 TSHR (0.56) ANO1ANO2TSHRMEN1KMT2A
SCHEMBL25195958 0.72 ALDH1A1 (0.52) HPGDKMT2AGAAL3MBTL1ALDH1A1

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-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 FBP1 565/4885ANO1 3494/4885ANO2 1841/4885

“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.