SCHEMBL4121856

SCHEMBL4121856

CC(=O)c1cc(OCC=C(Cl)Cl)cc(Cl)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
MAOB P27338 8/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOA P21397 4/20 0.35
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 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
SCHEMBL4505171 0.86 HTT (0.44) HTTMAOBMAOACYP1A2CYP2D6
SCHEMBL4625446 0.86 HTT (0.46) HTTMAOBMEN1KMT2AMAOA
SCHEMBL4621204 0.83 HTT (0.44) HTTMAOBKMT2ACYP3A4HPGD
SCHEMBL2166615 0.83 HTT (0.41) HTTMEN1KMT2ACYP3A4CYP1A2
SCHEMBL8407828 0.79 HTT (0.41) HTTMAOBMEN1KMT2ACYP1A2
SCHEMBL7075218 0.79 HTT (0.40) HTTKMT2ACYP1A2CYP2D6HPGD
SCHEMBL8405762 0.76 HTT (0.37) HTT
SCHEMBL7979193 0.76 HTT (0.37) HTT
SCHEMBL6547551 0.75 HTT (0.47) HTTMAOBKMT2A
SCHEMBL8407735 0.75 GABRA1 (0.40) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221596-A1 Substtituted aryl oximes BAYER CROPSCIENCE AG (DE) 2009-09-03 US disclosed
EP-1446375-B1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE SA (FR) 2008-05-14 EP disclosed
EP-1883622-A1 SUBSTITUTED ARYL OXIMES Bayer CropScience Aktiengesellschaft (DE) 2008-02-06 EP disclosed
WO-2007090434-A1 SUBSTITUTED ARYL OXIMES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-08-16 WO disclosed
US-6949551-B2 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides BAYER CROPSCIENCE S.A. (FR) 2005-09-27 US disclosed
EP-1446375-A1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS Bayer CropScience S.A. (FR) 2004-08-18 EP disclosed
US-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides MERIAL, INC. 2004-02-12 US disclosed
WO-2003042147-A1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE S.A. (FR) 2003-05-22 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 (2 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-20090221596-A1 Substtituted aryl oximes CYP1A1, PRDX1, CYP1A2 HTT 2381/4885MAOB 53/4885MEN1 2493/4885
US-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides DDT, CBR1, CBR3 HTT 1959/4885MAOB 2034/4885MEN1 3777/4885

“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.