SCHEMBL3547826

SCHEMBL3547826

[CH]=C(Cl)C(Cl)(Cl)CCCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.37
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.31
SMPD1 P17405 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL3554484 0.93 FDPS (0.39) FDPSALDH1A1TSHRSMPD1
SCHEMBL6414112 0.79 FDPS (0.39) FDPSALDH1A1TP53TSHRSMPD1
SCHEMBL11197128 0.75 ALDH1A1 (0.44) FDPSALDH1A1TP53TSHRSMPD1
SCHEMBL16969562 0.73 FDPS (0.35) FDPSALDH1A1TP53TSHR
SCHEMBL11721233 0.72 FDPS (0.38) FDPSALDH1A1TSHRSMPD1ESR1
SCHEMBL962102 0.72 FDPS (0.41) FDPSALDH1A1TSHRSMPD1
SCHEMBL11710626 0.70 FDPS (0.43) FDPSALDH1A1TSHRSMPD1
SCHEMBL1158403 0.70 FDPS (0.41) FDPSALDH1A1TP53TSHRESR1
SCHEMBL27616712 0.70 FDPS (0.43) FDPSALDH1A1TSHRSMPD1
SCHEMBL8736291 0.68 ALDH1A1 (0.44) FDPSALDH1A1TP53TSHRSMPD1

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 10 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
EP-1613607-A1 BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS BASF Aktiengesellschaft (DE) 2006-01-11 EP 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-2004089914-A1 BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-10-21 WO 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 2185/4885ALDH1A1 2179/4885TP53 4108/4885
US-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides CBR3, DDT, CYP4X1 FDPS 3025/4885ALDH1A1 716/4885TP53 3312/4885

“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.