SCHEMBL19684886

SCHEMBL19684886

CCCCOc1ccc(F)cc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 3/20 0.50
HSP90AA1 P07900 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP2C9 P11712 1/20 0.50
FAAH O00519 3/20 0.48
FFAR4 Q5NUL3 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
OPRK1 P41145 1/20 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
SCHEMBL18914159 0.93 MAPT (0.48) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL22176362 0.86 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL22176383 0.86 ALDH1A1 (0.50) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL24468015 0.85 SMN1; SMN2 (0.48) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL22176379 0.85 MAPT (0.47) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL29629519 0.85 SMN1; SMN2 (0.48) ALDH1A1MAPTHPGDHTTHSP90AA1
Hydrochloric Acid SCHEMBL22164206 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL22176051 0.85 L3MBTL4 (0.48) ALDH1A1MAPTHPGDHTTHSP90AA1
Hydrochloric Acid SCHEMBL22164245 0.85 MAPT (0.47) ALDH1A1MAPTHPGDHTTHSP90AA1
SCHEMBL19684887 0.84 SMPD1 (0.50) ALDH1A1MAPTFAAHMEN1KMT2A

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 ALDH1A1 2669/4885MAPT 3784/4885HPGD 1619/4885

“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.