SCHEMBL678525

SCHEMBL678525

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL20202771 0.89 MAPT (0.59) PPARACYP1A1CYP1B1MAPTKDM4E
SCHEMBL2671840 0.88 PPARA (0.46) PPARACYP1A1CYP1B1MAPTKDM4E
SCHEMBL2671839 0.88 PPARA (0.46) PPARACYP1A1CYP1B1MAPTKDM4E
SCHEMBL864924 0.88 PPARA (0.46) PPARACYP1A1CYP1B1MAPTKDM4E
SCHEMBL864925 0.88 PPARA (0.46) PPARACYP1A1CYP1B1MAPTKDM4E
SCHEMBL3630763 0.87 MAPT (0.45) PPARACYP1A1CYP1B1MAPTKDM4E
SCHEMBL19193806 0.86 MAPT (0.47) PPARACYP1A1CYP1B1MAPTKDM4E
SCHEMBL19193699 0.85 CYP1A1 (0.51) CYP1A1CYP1B1MAPTKDM4EABCG2
SCHEMBL22171289 0.85 ABCG2 (0.49) CYP1A1CYP1B1MAPTKDM4EABCG2
SCHEMBL22639614 0.84 MAPT (0.49) PPARAMAPTPRSS1ACRNPC1

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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 PPARA 3612/4885CYP1A1 4764/4885CYP1B1 4620/4885

“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.