SCHEMBL19684887

SCHEMBL19684887

CCCCOc1ccc(F)cc1C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.50
KDM4E B2RXH2 1/20 0.50
FAAH O00519 2/20 0.47
SCN8A Q9UQD0 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
HDAC6 Q9UBN7 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL19684886 0.84 ALDH1A1 (0.50) KDM4EFAAHHDAC6ALDH1A1MEN1
SCHEMBL2449519 0.79 PTPN11 (0.63) HDAC6ALDH1A1MEN1NR1I2LMNA
SCHEMBL20472214 0.78 MEN1 (0.51) FAAHHDAC6ALDH1A1MEN1NR1I2
SCHEMBL21471180 0.77 DHODH (0.52)
SCHEMBL14396343 0.77 CYSLTR1 (0.45) FAAHHDAC6ALDH1A1MEN1NR1I2
SCHEMBL18914159 0.77 MAPT (0.48) KDM4ESCN8ASCN10AALDH1A1MEN1
SCHEMBL9425861 0.77 MEN1 (0.68) SMPD1FAAHHDAC6ALDH1A1MEN1
SCHEMBL28907971 0.77 MEN1 (0.68) SMPD1FAAHHDAC6ALDH1A1MEN1
SCHEMBL19667131 0.76 LRRK2 (0.64) SMPD1HDAC6HDAC1HDAC8ALDH1A1
SCHEMBL13637553 0.76 LMNA (0.52) KDM4EFAAHHDAC6ALDH1A1MEN1

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP SMPD1 2645/4885KDM4E 2891/4885FAAH 4846/4885

“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.