SCHEMBL73885

SCHEMBL73885

[CH2]/C=C/c1ccc(OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
NFE2L2 Q16236 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
APP P05067 1/20 0.31
PTGS1 P23219 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL73886 1.00 CYP2D6 (0.34) CYP2D6NFE2L2PIM1PIM2LMNA
SCHEMBL74857 0.84 CYP2D6 (0.45) CYP2D6NFE2L2PIM1PIM2KDM4E
SCHEMBL74858 0.84 CYP2D6 (0.45) CYP2D6NFE2L2PIM1PIM2KDM4E
SCHEMBL8108082 0.80 ALDH1A1 (0.46) PIM1PIM2TSHRALDH1A1HDAC8
SCHEMBL17103331 0.76 ALDH1A1 (0.48) PIM1PIM2LMNAKDM4EALDH1A1
SCHEMBL5541671 0.73 POLB (0.33) PIM1PIM2LMNATSHRKDM4E
SCHEMBL1119553 0.73 MAPT (0.31)
SCHEMBL10709647 0.72 MAPT (0.47) PIM1PIM2LMNATP53CYP3A4
SCHEMBL3463501 0.71 EPHX2 (0.47) TP53ALDH1A1CA12CA1CA2
SCHEMBL3463502 0.71 EPHX2 (0.47) TP53ALDH1A1CA12CA1CA2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 US disclosed
US-8846907-B2 Spiro-condensed indoline derivatives as pesticides SYNGENTA CROP PROTECTION LLC (US) 2014-09-30 US disclosed
US-8796274-B2 Piperazine derivatives and their use in controlling pests SYNGENTA CROP PROTECTION LLC (US) 2014-08-05 US disclosed
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES SYNGENTA CROP PROTECTION LLC 2014-01-30 US disclosed
US-20130310399-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-21 US disclosed
US-8546569-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-10-01 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
EP-1763302-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-06 EP disclosed
EP-1694676-B1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-26 EP disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US disclosed
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2009-02-12 US disclosed
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-02-12 US disclosed
US-20090042938-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2009-02-12 US disclosed
US-20080306101-A1 Insecticidal Spironindane Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2008-12-11 US disclosed
EP-1697376-B1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-18 EP disclosed
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 US disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 US disclosed
US-20070135408-A1 Spiropiperidine derivatives for controlling pests SYNGENTA CROP PROTECTION, INC. 2007-06-14 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 (12 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-20090042938-A1 Chemical Compounds CHRM1, MRM1, H1-0 CYP2D6 1310/4885NFE2L2 1218/4885PIM1 3839/4885
US-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 CYP2D6 1814/4885NFE2L2 1211/4885PIM1 3888/4885
US-20080076777-A1 2-chloro-N-(4-chloro-2-{4-[(E)-3-(4-chloro-phenyl)-allyl]-piperazin-1-yl}-phenyl)-isonicotinamide; for insects, acarines, nematodes and molluscs CHRM1, CHRM2, CHRM5 CYP2D6 2177/4885NFE2L2 926/4885PIM1 3280/4885
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES CHRM1, CHRM2, ACHE CYP2D6 657/4885NFE2L2 684/4885PIM1 4699/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX CYP2D6 684/4885NFE2L2 169/4885PIM1 1490/4885
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES CHRM1, CHRM2, RO60 CYP2D6 1027/4885NFE2L2 859/4885PIM1 2995/4885
US-20080306101-A1 Insecticidal Spironindane Derivatives NR1D1, NR1D2, NR1I3 CYP2D6 268/4885NFE2L2 1589/4885PIM1 4849/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 CYP2D6 558/4885NFE2L2 1989/4885PIM1 4422/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 CYP2D6 268/4885NFE2L2 1589/4885PIM1 4849/4885
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 CYP2D6 1160/4885NFE2L2 2691/4885PIM1 1494/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 CYP2D6 1391/4885NFE2L2 2622/4885PIM1 4221/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 CYP2D6 1382/4885NFE2L2 1014/4885PIM1 3899/4885

“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.