SCHEMBL5753095

SCHEMBL5753095

O=C1NC(Cc2ccc(OC(F)(F)F)cc2)C(c2ccc(F)cc2)O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.43
DAO P14920 2/20 0.40
ADORA2A P29274 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
GRM2 Q14416 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
LIPE Q05469 1/20 0.36
AR P10275 1/20 0.35
GRM5 P41594 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL5753082 0.90 DAO (0.46) DAOHCRTR1HCRTR2GRM5
SCHEMBL5753746 0.90 MDM2 (0.37) MDM2DAOHCRTR1HCRTR2AR
SCHEMBL5751029 0.87 MDM2 (0.47) MDM2DAOGRM5
SCHEMBL5754080 0.85 RXFP1 (0.43) MDM2
SCHEMBL5752408 0.84 KDM1A (0.44) MDM2DAOGRM5
SCHEMBL5752541 0.84 MDM2 (0.41) MDM2DAOGRM5
SCHEMBL5752398 0.84 MDM2 (0.41) MDM2DAOGRM5
SCHEMBL5750184 0.82 MDM2 (0.40) MDM2GRM5
SCHEMBL5754087 0.81 MDM2 (0.40) MDM2DAOGRM5
SCHEMBL5751660 0.80 CETP (0.44) DAOHCRTR1HCRTR2GRM5

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 MDM2 3868/4885DAO 865/4885ADORA2A 1175/4885

“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.