SCHEMBL208022

SCHEMBL208022

C=C(F)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 3/20 0.44
CYP2A6 P11509 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
GSK3B P49841 2/20 0.41
SRD5A2 P31213 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1796583 0.77 MAPT (0.55) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL16798463 0.77 CES2 (0.52) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL2081411 0.77 CES2 (0.52) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL10364781 0.74 CES2 (0.50) CES2CES1TSHRMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL27964006 0.74 MAPT (0.52) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL672556 0.74 L3MBTL1 (0.55) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL208701 0.74 CES2 (0.50) CES2CES1MAOAMAOBCA1
SCHEMBL27641076 0.74 MAPT (0.60) CES2TSHRMAPK1ALOX15CYP3A4
SCHEMBL9834776 0.72 CES2 (0.62) CES2CES1TSHRMAPK1L3MBTL1
SCHEMBL12449035 0.72 MAPT (0.32) CES2CES1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183213-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME Kyung Nong Corporation (KR) 2010-05-12 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
WO-2009005297-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2009-01-08 WO claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
EP-2991487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 EP disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 WO disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
CN-101466671-A Novel microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2009-06-24 CN disclosed
EP-2018367-A1 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-01-28 EP disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 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 (3 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CES2 3344/4885CES1 562/4885TSHR 280/4885
US-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 CES2 1075/4885CES1 526/4885TSHR 2752/4885
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA CES2 222/4885CES1 204/4885TSHR 2508/4885

“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.