SCHEMBL3977342

SCHEMBL3977342

O=C(c1ccc(F)cc1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
CES2 O00748 4/20 0.54
CES1 P23141 4/20 0.54
TTR P02766 1/20 0.51
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALPG P10696 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CA1 P00915 2/20 0.46

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
SCHEMBL1070238 0.86 LTA4H (0.64) LTA4HCES2CES1TTRNPC1
SCHEMBL28312590 0.86 CES2 (0.70) LTA4HCES2CES1TTRALDH1A1
SCHEMBL238259 0.83 LTA4H (0.73) LTA4HCES2CES1NPC1ALDH1A1
SCHEMBL8572071 0.83 LTA4H (0.73) LTA4HCES2CES1NPC1ALDH1A1
SCHEMBL1736339 0.83 LTA4H (0.73) LTA4HCES2CES1NPC1ALDH1A1
SCHEMBL3974706 0.83 ALDH1A1 (0.61) CES2CES1NPC1ALDH1A1RAB9A
SCHEMBL1069077 0.82 LTA4H (0.59) LTA4HCES2CES1TTRNPC1
SCHEMBL30632245 0.81 LTA4H (0.70) LTA4HCES2CES1NPC1ALDH1A1
SCHEMBL7371911 0.81 LTA4H (0.70) LTA4HCES2CES1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL27713233 0.81 LTA4H (0.70) LTA4HCES2CES1NPC1ALDH1A1

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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 LTA4H 418/4885CES2 1656/4885CES1 2371/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 LTA4H 418/4885CES2 1656/4885CES1 2371/4885

“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.