SCHEMBL1754952

SCHEMBL1754952

C=C(Oc1ccc(Cl)cc1-c1cccc(C#N)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.67
EIF4EBP1 Q13541 6/20 0.43
P2RX1 P51575 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
HSD17B3 P37058 1/20 0.40
PTGER1 P34995 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL1690361 0.81 PTGDR2 (1.00) PTGDR2EIF4EBP1
SCHEMBL1690335 0.79 PTGDR2 (0.71) PTGDR2EIF4EBP1P2RX1SLC22A12HSD17B3
SCHEMBL2112925 0.78 PTGDR2 (0.63) PTGDR2MAPTMRGPRX4
SCHEMBL20255669 0.75 PTGDR2 (0.60) PTGDR2EIF4EBP1MEN1LMNAMAPT
SCHEMBL10344931 0.73 PTGDR2 (0.58) PTGDR2P2RX1MEN1LMNAMAPT
SCHEMBL2111898 0.73 PTGDR2 (0.56) PTGDR2P2RX1MEN1LMNAMAPT
SCHEMBL5431292 0.72 PTGDR2 (0.62) PTGDR2EIF4EBP1P2RX1MAPTXDH
SCHEMBL22115305 0.71 PTGDR2 (0.54) PTGDR2P2RX1MEN1LMNAMAPT
SCHEMBL29472205 0.71 TDP1 (0.53) MEN1LMNAMAPTKMT2AMRGPRX4
SCHEMBL11178796 0.71 TDP1 (0.53) MEN1LMNAMAPTKMT2AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885EIF4EBP1 3414/4885P2RX1 171/4885

“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.