SCHEMBL16979124

SCHEMBL16979124

CCCC1CCC(COc2ccc(Br)c(OC)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KDR P35968 3/20 0.33
EGFR P00533 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
EPHA2 P29317 1/20 0.33
EPHB4 P54760 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE4B Q07343 3/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL24724664 0.93 ALOX5AP (0.40) RIPK1ALOX5APFEN1TDP1HTR2A
SCHEMBL30099967 0.93 ALOX5AP (0.40) RIPK1ALOX5APFEN1TDP1HTR2A
SCHEMBL19753293 0.86 RIPK1 (0.39) RIPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL19460282 0.85 PDE4B (0.40) RIPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL29432432 0.85 PDE4B (0.40) RIPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL13528234 0.85 PDE4B (0.40) RIPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL29364960 0.85 PDE4B (0.40) RIPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL7794208 0.83 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL7794218 0.83 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL7794215 0.83 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BALDH1A1

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-9783481-B2 Carbonyl derivative, liquid crystal composition containing compound thereof and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-08-06 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-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE RCC2, RCC1, ROCK2 RIPK1 971/4885ALOX5AP 2056/4885FEN1 2964/4885

“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.