SCHEMBL20128505

SCHEMBL20128505

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.43
ALOX12 P18054 2/20 0.43
CSNK2A1 P68400 2/20 0.42
FOS P01100 1/20 0.40
TTR P02766 1/20 0.40
JUN P05412 1/20 0.40
NR3C1 P04150 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PNMT P11086 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CTSL P07711 1/20 0.38
SLC1A5 Q15758 1/20 0.38

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
SCHEMBL18182094 0.88 CSNK2A1 (0.44) CSNK2A1PNMTHCRTR1HCRTR2CTSL
SCHEMBL20061669 0.83 PDE2A (0.44) ALOX15ALOX12FOSTTRJUN
SCHEMBL16913143 0.81 P2RX3 (0.48) CTSL
SCHEMBL20128503 0.80 CSNK2A1 (0.50) ALOX15ALOX12CSNK2A1FOSTTR
SCHEMBL169779 0.79 PGK1 (0.44) CSNK2A1HCRTR1HCRTR2SLC1A5
SCHEMBL10582291 0.77 TTR (0.45) TTRHCRTR1HCRTR2SLC1A5
SCHEMBL19725439 0.76 PPARD (0.41) CSNK2A1HCRTR1HCRTR2SLC1A5
SCHEMBL12093360 0.76 HCRTR1 (0.43) HCRTR1HCRTR2SLC1A5
SCHEMBL25178686 0.76 SLC1A5 (0.40) HCRTR1HCRTR2SLC1A5
SCHEMBL3118077 0.76 CSNK2A1 (0.56) CSNK2A1HCRTR1HCRTR2SLC1A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 ALOX15 4701/4885ALOX12 4667/4885CSNK2A1 456/4885

“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.