SCHEMBL5751768

SCHEMBL5751768

O=C1OC(c2ccc(F)cc2)C(Cc2ccc(C(F)(F)F)cc2)N1Cc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.39
GSK3B P49841 3/20 0.39
ADK P55263 2/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNN4 O15554 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
RORC P51449 1/20 0.35
DRD4 P21917 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
SCHEMBL5752913 0.76 MDM2 (0.43) KCNN4
SCHEMBL5752541 0.64 MDM2 (0.41)
SCHEMBL5752398 0.64 MDM2 (0.41)
SCHEMBL5032994 0.64 SLC6A4 (0.47) POLBCYP2C19HDAC6
SCHEMBL5752174 0.63 CES2 (0.37) PTGDR2TBXA2RPTGDRRORC
SCHEMBL6782306 0.62 KDM4E (0.60)
SCHEMBL5749862 0.61 MAOB (0.43) GSK3BADKDRD4
SCHEMBL5751738 0.60 KMT2A (0.41) POLBCYP2C19DRD4
SCHEMBL1056644 0.60 PTGDR2 (0.67) PTGDR2TBXA2RPTGDR
SCHEMBL19017959 0.59 PTGDR2 (0.44) PTGDR2

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 PTGDR2 2702/4885GSK3B 1580/4885ADK 1191/4885

“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.