SCHEMBL1944769

SCHEMBL1944769

COC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2[C@H](N)C2CCc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
GFRA2 O00451 1/20 0.37
GFRA3 O60609 1/20 0.37
MC4R P32245 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
FAAH O00519 1/20 0.37
SCN9A Q15858 6/20 0.36
CSNK1D P48730 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1011187 1.00 SMYD3 (0.40) SMYD3GFRA2GFRA3MC4RPOLB
SCHEMBL1943686 1.00 SMYD3 (0.40) SMYD3GFRA2GFRA3MC4RPOLB
SCHEMBL1009732 0.88 GFRA2 (0.39) GFRA2GFRA3POLBSLC7A5
SCHEMBL1942311 0.86 SMYD3 (0.40) SMYD3MC4RPOLBHTTFAAH
SCHEMBL3412161 0.84 PTGDR2 (0.47)
SCHEMBL150054 0.84 PTGDR2 (0.47)
SCHEMBL152080 0.84 PTGDR2 (0.47)
SCHEMBL1943691 0.80 KDM4E (0.43) POLBHTTSCN9AKCNQ3KCNQ2
SCHEMBL1943687 0.80 KDM4E (0.43) POLBHTTSCN9AKCNQ3KCNQ2
SCHEMBL1944772 0.80 KDM4E (0.43) POLBHTTSCN9AKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426449-B2 Aminoalkylphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-04-23 US disclosed
US-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-06-02 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-20110130453-A1 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SMYD3 4004/4885GFRA2 2949/4885GFRA3 3796/4885

“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.