SCHEMBL1480835

SCHEMBL1480835

CCn1cc(-c2ccc(C(F)(F)F)cc2)nc1/C=C/c1ccc(-c2ccc(OCCCC(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAOB P27338 1/20 0.40
PPARD Q03181 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HDAC1 Q13547 2/20 0.38
ERBB2 P04626 1/20 0.38
TLR8 Q9NR97 1/20 0.38
PPARG P37231 3/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL1480838 1.00 PPARA (0.46) PPARACYP1A1CYP1B1CHRNB2CHRNB4
SCHEMBL1481363 0.91 PPARA (0.49) PPARACYP1A1CYP1B1CHRNB2CHRNB4
SCHEMBL1481361 0.91 PPARA (0.49) PPARACYP1A1CYP1B1CHRNB2CHRNB4
SCHEMBL1481426 0.91 HDAC6 (0.45) PPARAPPARDHDAC1ERBB2TLR8
SCHEMBL1481429 0.91 HDAC6 (0.45) PPARAPPARDHDAC1ERBB2TLR8
SCHEMBL1481499 0.91 TLR8 (0.41) PPARACYP1A1CYP1B1CHRNB2CHRNB4
SCHEMBL1480943 0.91 TLR8 (0.41) PPARACYP1A1CYP1B1CHRNB2CHRNB4
SCHEMBL1481613 0.90 LTB4R (0.44) PPARAHDAC1PDE3BPDE3AP2RY12
SCHEMBL1481616 0.90 LTB4R (0.44) PPARAHDAC1PDE3BPDE3AP2RY12
SCHEMBL1481459 0.89 PTGS2 (0.47) PPARAMAOBHDAC1PDE3BPDE3A

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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ PPARA 2236/4885CYP1A1 697/4885CYP1B1 345/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PPARA 2236/4885CYP1A1 697/4885CYP1B1 345/4885

“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.