SCHEMBL5586085

SCHEMBL5586085

Cc1ncc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
CA12 O43570 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
CA1 P00915 2/20 0.57
HDAC4 P56524 2/20 0.54
RAB9A P51151 5/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MITF O75030 1/20 0.51
NOTUM Q6P988 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
KDR P35968 3/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL344598 0.96 ALOX15 (0.59) ALOX15TSHRCASP1CA12CA2
Perchlorate SCHEMBL7111057 0.85 NOTUM (0.53) ALOX15TSHRCASP1CA12CA2
SCHEMBL9284900 0.83 CA12 (0.61) ALOX15TSHRCASP1CA12CA2
SCHEMBL10263007 0.80 CA12 (0.57) ALOX15TSHRCASP1CA12CA2
SCHEMBL7902821 0.80 CA12 (0.57) ALOX15TSHRCASP1CA12CA2
SCHEMBL1360325 0.80 CA12 (0.62) ALOX15TSHRCASP1CA12CA2
SCHEMBL17790966 0.80 CA12 (0.57) ALOX15TSHRCASP1CA12CA2
SCHEMBL1169513 0.80 CA12 (0.57) ALOX15TSHRCASP1CA12CA2
SCHEMBL15507350 0.78 CA12 (0.55) CA12CA2CA9CA1HDAC4
SCHEMBL2684521 0.78 ALOX15 (0.96) ALOX15TSHRCASP1HDAC4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
US-20070244130-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2007-10-18 US disclosed
EP-1749003-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
WO-2003087052-A2 DYES AND FLUORESCENT COMPOUNDS TERPETSCHNIG EWALD A (US) 2003-10-23 WO 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-20070244130-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD ALOX15 448/4885TSHR 559/4885CASP1 3209/4885

“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.