SCHEMBL3550686

SCHEMBL3550686

[CH]=CC(Cl)(Cl)CCCCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.35
SMPD1 P17405 2/20 0.34
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
GGPS1 O95749 7/20 0.32
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30

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
SCHEMBL3553040 0.92
SCHEMBL8912557 0.75 TSHR (0.39) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL14909789 0.75 FDPS (0.40) FDPSSMPD1TSHRGGPS1
SCHEMBL7721804 0.73 TSHR (0.42) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL7722176 0.73 TSHR (0.42) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL7734114 0.73 TSHR (0.42) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL28381123 0.71 TSHR (0.41) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL3552141 0.70 TSHR (0.33) FDPSSMPD1TSHRTHRBGGPS1
SCHEMBL968652 0.69
SCHEMBL876998 0.69 TSHR (0.44) FDPSSMPD1TSHRTHRBGGPS1

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
EP-1613607-B1 BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS BASF SE (DE) 2013-01-09 EP disclosed
US-7741485-B2 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
EP-1501361-B1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF SE (DE) 2009-09-30 EP disclosed
US-7381687-B2 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2008-06-03 US disclosed
US-20060211577-A1 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 US disclosed
US-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
EP-1501361-A1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
WO-2003090539-A1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 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-20060211577-A1 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds CBR3, CBR1, CNPY2 FDPS 2185/4885SMPD1 2938/4885TSHR 783/4885
US-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides CBR3, DDT, CYP4X1 FDPS 3025/4885SMPD1 4736/4885TSHR 1245/4885

“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.