SCHEMBL20061669

SCHEMBL20061669

CC(C)C(C)Cc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.44
EPHX2 P34913 1/20 0.44
ALOX15 P16050 10/20 0.44
ALOX12 P18054 6/20 0.44
FOS P01100 2/20 0.41
TTR P02766 2/20 0.41
JUN P05412 2/20 0.41
NR3C1 P04150 2/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
CACNA1H O95180 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
RECQL P46063 2/20 0.39

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
SCHEMBL6611829 0.87 PDE2A (0.47) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL20061666 0.84 PDE2A (0.42) PDE2AEPHX2ALOX15CACNA1HHCRTR1
SCHEMBL20128505 0.83 ALOX15 (0.43) ALOX15ALOX12FOSTTRJUN
SCHEMBL18181376 0.83 PDE2A (0.43) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL20061670 0.82 ALOX15 (0.60) ALOX15ALOX12FOSTTRJUN
SCHEMBL20132766 0.81 ALOX5AP (0.36) PDE2AEPHX2ALOX15CACNA1HHCRTR1
SCHEMBL6600311 0.81 TP53 (0.45) PDE2AEPHX2CACNA1HTP53HCRTR1
SCHEMBL18174275 0.80 EPHX2 (0.50) PDE2AEPHX2CACNA1HPPARG
SCHEMBL20128512 0.80 EPHX2 (0.50) PDE2AEPHX2CACNA1H
SCHEMBL18174185 0.80 EPHX2 (0.50) PDE2AEPHX2CACNA1HPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 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 (3 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 PDE2A 3909/4885EPHX2 3301/4885ALOX15 4664/4885
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 PDE2A 4039/4885EPHX2 3907/4885ALOX15 4701/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 PDE2A 3909/4885EPHX2 3301/4885ALOX15 4664/4885

“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.