SCHEMBL3844916

SCHEMBL3844916

C/C=C/c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
TSHR P16473 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL13790221 0.87 CYP2D6 (0.50) KDM4ECYP2D6PIM1PIM2GRIK1
SCHEMBL1047423 0.83 PIM1 (0.46) KDM4ETSHRALDH1A1LMNATP53
SCHEMBL9060861 0.82 NFE2L2 (0.62) KDM4ETSHRALDH1A1LMNATP53
SCHEMBL9061558 0.82 RELA (0.59) CYP2D6PIM1PIM2NFE2L2
SCHEMBL9061561 0.82 RELA (0.59) CYP2D6PIM1PIM2NFE2L2
SCHEMBL9060858 0.82 NFE2L2 (0.62) KDM4ETSHRALDH1A1LMNATP53
SCHEMBL7606991 0.81 LMNA (0.59) KDM4ETSHRALDH1A1LMNATP53
SCHEMBL13990592 0.80 CYP2D6 (0.43) KDM4EALDH1A1CYP2D6PIM1PIM2
SCHEMBL8428819 0.80 CYP2D6 (0.43) KDM4ETSHRALDH1A1LMNATP53
SCHEMBL8428816 0.80 CYP2D6 (0.43) KDM4ETSHRALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822938-B1 RODENTICIDAL NORBORMIDE ANALOGUES LANDCARE RES NEW ZEALAND LIMITED (NZ) 2019-07-03 EP disclosed
WO-2018068666-A1 MICROTUBULE PROTEIN INHIBITOR 深圳海王医药科技研究院有限公司 2018-04-19 WO disclosed
US-9198420-B2 Rodenticidal norbormide analogues LANDCARE RESEARCH NEW ZEALAND LIMITED (NZ) 2015-12-01 US disclosed
US-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES ANIMAL CONTROL PRODUCTS LIMITED (NZ) 2015-01-22 US disclosed
CN-101370810-B Diaza-spiro [4.5] decanes useful as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2013-01-02 CN disclosed
EP-1613639-B1 AVERMECTINS SUBSTITUTED IN THE 4'' AND 4´-POSITIONS HAVING PESTICIDAL PROPERTIES MERIAL LTD (US) 2010-10-06 EP disclosed
EP-1979354-B1 DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-11 EP disclosed
US-7326727-B2 Furanthiazole derivatives as heparanase inhibitors OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2008-02-05 US disclosed
US-7326727-B2 Furanthiazole derivatives as heparanase inhibitors OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2008-02-05 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-20150025113-A1 RODENTICIDAL NORBORMIDE ANALOGUES CASP7, RANBP1, CASP3 KDM4E 2937/4885TSHR 3163/4885ALDH1A1 1772/4885

“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.