SCHEMBL5754704

SCHEMBL5754704

O=C(O)c1ccc(F)c2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
PARP1 P09874 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GFER P55789 1/20 0.39
FABP3 P05413 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
CLCN2 P51788 1/20 0.39
ALB P02768 1/20 0.38
FABP4 P15090 3/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL21465443 0.96 CYP1A2 (0.44) CYP1A2RXRARXRBRXRGPARP1
SCHEMBL87519 0.87 CYP1A2 (0.57) CYP1A2RXRARXRBRXRGKMT2A
SCHEMBL11808627 0.86 CES2 (0.39) RXRARXRBRXRGPARP1MEN1
Cyclohexane SCHEMBL1538047 0.85 CYP1A2 (0.55) CYP1A2RXRARXRBRXRGMEN1
SCHEMBL250454 0.85 CYP1A2 (0.55) CYP1A2RXRARXRBRXRGMEN1
SCHEMBL2034342 0.85 CYP1A2 (0.55) CYP1A2RXRARXRBRXRGMEN1
SCHEMBL3091854 0.85 CYP1A2 (0.55) CYP1A2RXRARXRBRXRGMEN1
SCHEMBL195800 0.85 CYP1A2 (0.55) CYP1A2RXRARXRBRXRGMEN1
SCHEMBL982478 0.85 CYP1A2 (0.55) CYP1A2RXRARXRBRXRGRAB9A
SCHEMBL3107923 0.85 CYP1A2 (0.55) CYP1A2RXRARXRBRXRGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP CYP1A2 853/4885RXRA 2166/4885RXRB 2124/4885

“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.