SCHEMBL11971417

SCHEMBL11971417

O=C(/C=C/c1ccc(O)c(C(F)(F)F)c1)/C=C/c1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.60
▸ CYP1A2 P05177 2/20 0.56
▸ P4HB P07237 4/20 0.53
▸ NFKB1 P19838 3/20 0.53
▸ HSD11B1 P28845 3/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ ALOX5 P09917 2/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ PRMT1 Q99873 1/20 0.51
▸ CYP2C9 P11712 2/20 0.48
▸ F3 P13726 1/20 0.48
▸ TYR P14679 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ CA12 O43570 1/20 0.47

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
SCHEMBL11971419 1.00 APP (0.60) APPCYP1A2P4HBNFKB1HSD11B1
SCHEMBL11999778 0.91 APP (0.56) APPCYP1A2P4HBNFKB1HSD11B1
SCHEMBL1404873 0.87 IAPP (0.65) APPP4HBNFKB1ALOX5CYP2C9
SCHEMBL1404874 0.87 IAPP (0.65) APPP4HBNFKB1ALOX5CYP2C9
SCHEMBL6295438 0.79 APP (0.49) APPCYP1A2P4HBCYP2C9HSD17B10
SCHEMBL856316 0.78 KDM4E (0.57) APPP4HBKDM4EALDH1A1HPGD
SCHEMBL29452390 0.78 KDM4E (0.57) APPP4HBKDM4EALDH1A1HPGD
SCHEMBL2221673 0.77 KDM4E (0.74) APPCYP1A2NFKB1HSD11B1CYP2D6
SCHEMBL5598948 0.77 KDM4E (0.74) APPCYP1A2NFKB1HSD11B1CYP2D6
SCHEMBL3969203 0.76 MAPT (0.61) P4HBNFKB1NFKB2RELAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 — — US disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 — — US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 — — US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 — — US disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 — — 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 (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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB APP 4857/4885CYP1A2 1796/4885P4HB 482/4885

“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.

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