SCHEMBL16367171

SCHEMBL16367171

CCC(F)COc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 5/20 0.52
MAPT P10636 3/20 0.52
S1PR4 O95977 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.49
AGTR1 P30556 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL19296839 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL22579790 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL2611830 0.81 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL15881431 0.79 KMT2A (0.49) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL2429316 0.78 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL773162 0.77 KMT2A (0.59) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL14553750 0.76 TSHR (0.59) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL22897826 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL10533591 0.75 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1LMNAMAPT
SCHEMBL29559314 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1LMNAMAPT

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-20150011446-A1 (PER)FLUOROPOLYETHERS WITH bi- OR ter-PHENYL END GROUPS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2015-01-08 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-20150011446-A1 (PER)FLUOROPOLYETHERS WITH bi- OR ter-PHENYL END GROUPS PPARG, PARG, LIPC ALDH1A1 2652/4885KDM4E 1001/4885TDP1 287/4885

“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.