SCHEMBL20061665

SCHEMBL20061665

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.46
ALOX15 P16050 4/20 0.44
ALOX12 P18054 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TRPA1 O75762 2/20 0.44
LMNA P02545 2/20 0.44
NR3C1 P04150 2/20 0.44
FOS P01100 2/20 0.44
TTR P02766 2/20 0.44

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
SCHEMBL6126362 0.85 PNMT (0.48) PNMTKDM4ELMNASLC6A2SLC6A3
SCHEMBL20128504 0.82 PNMT (0.66) PNMTALOX15ALOX12KDM4EMEN1
SCHEMBL786411 0.81 PNMT (0.70) PNMTSLC6A2SLC6A3HTR2AHTR2B
SCHEMBL28747785 0.81 PNMT (0.46) PNMTKDM4EMEN1CYP3A4KMT2A
SCHEMBL22343402 0.80 PNMT (0.44) PNMTKDM4EMEN1KMT2ALMNA
SCHEMBL9335376 0.79 PNMT (0.43) PNMTKDM4EMEN1KMT2ALMNA
SCHEMBL13995719 0.78 PLA2G1B (0.40) KDM4EMEN1CYP3A4KMT2ALMNA
SCHEMBL23095143 0.77 PNMT (0.42) PNMTKDM4EMEN1KMT2ALMNA
SCHEMBL18826868 0.77 PNMT (0.42) PNMTKDM4EMEN1KMT2ALMNA
SCHEMBL7969292 0.77 TSHR (0.47) PNMTKDM4EMEN1TP53KMT2A

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 4 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-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 PNMT 3308/4885ALOX15 4664/4885ALOX12 4473/4885
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 PNMT 3789/4885ALOX15 4701/4885ALOX12 4667/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 PNMT 3308/4885ALOX15 4664/4885ALOX12 4473/4885

“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.