SCHEMBL75390

SCHEMBL75390

[CH2]C=C(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL75389 1.00 PTGS1 (0.50) PTGS1CES2CES1TSHRMAPK1
SCHEMBL6921850 0.80 PTGS1 (0.53) PTGS1CES2CES1TSHRMAPK1
SCHEMBL13766957 0.80 PTGS1 (0.53) PTGS1CES2CES1TSHRMAPK1
SCHEMBL28370928 0.80 PTGS1 (0.53) PTGS1CES2CES1TSHRMAPK1
SCHEMBL8670406 0.78 ALDH1A1 (0.44) CES2CES1MAPK1ATMLMNA
SCHEMBL8670402 0.78 ALDH1A1 (0.44) CES2CES1MAPK1ATMLMNA
SCHEMBL1283151 0.77 CES2 (0.48) CES2CES1TSHRMAPK1ALOX15
SCHEMBL1120634 0.76 PTGS1 (0.50) PTGS1CES2CES1TSHRMAPK1
SCHEMBL16795552 0.76 PTGS1 (0.50) PTGS1CES2CES1TSHRMAPK1
SCHEMBL991357 0.76 PTGS1 (0.50) PTGS1CES2CES1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
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
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
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 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 (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 PTGS1 1660/4885CES2 3108/4885CES1 2117/4885
US-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 PTGS1 2303/4885CES2 3110/4885CES1 2628/4885
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 PTGS1 1844/4885CES2 2811/4885CES1 3173/4885
US-20090042921-A1 SPIROINDOLINE DERIVATIVES HAVING INSECTICIDAL PROPERTIES CHRM1, CHRM2, ACHE PTGS1 787/4885CES2 2875/4885CES1 2118/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX PTGS1 1913/4885CES2 2982/4885CES1 3478/4885
US-20090042859-A1 SPIRO-CONDENSED INDOLINE DERIVATIVES AS PESTICIDES CHRM1, CHRM2, RO60 PTGS1 956/4885CES2 3656/4885CES1 3001/4885
US-20080306101-A1 Insecticidal Spironindane Derivatives NR1D1, NR1D2, NR1I3 PTGS1 542/4885CES2 2761/4885CES1 555/4885
US-20070135408-A1 Spiropiperidine derivatives for controlling pests CHRM1, CHRM2, RER1 PTGS1 572/4885CES2 3975/4885CES1 2651/4885
US-20140031378-A1 INSECTICIDAL SPIRONINDANE DERIVATIVES NR1D1, NR1D2, NR1I3 PTGS1 542/4885CES2 2761/4885CES1 555/4885
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 PTGS1 535/4885CES2 4607/4885CES1 2314/4885
US-20130310399-A1 CHEMICAL COMPOUNDS ACHE, CHRM1, CHRM2 PTGS1 1876/4885CES2 2397/4885CES1 789/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 PTGS1 1945/4885CES2 2538/4885CES1 1928/4885

“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.