SCHEMBL16838752

SCHEMBL16838752

O=Cc1ccc(OCCC(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
ALDH1A1 P00352 12/20 0.47
HPGD P15428 7/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
APP P05067 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HTR2A P28223 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16838760 0.92 APP (0.47) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL14033966 0.84 ALDH1A1 (0.49) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL16838749 0.83 FDPS (0.50) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL1443525 0.81 FDPS (0.54) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL1714961 0.81 FDPS (0.50) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL1931812 0.81 FDPS (0.50) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL24181378 0.80 APP (0.50) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL10291447 0.79 FDPS (0.53) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL3967524 0.79 FDPS (0.61) FDPSALDH1A1HPGDMEN1POLB
SCHEMBL4118468 0.79 FDPS (0.49) FDPSALDH1A1HPGDMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 FDPS 2356/4885ALDH1A1 2293/4885HPGD 118/4885

“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.