SCHEMBL4941441

SCHEMBL4941441

CCc1cccc(N(C(=O)CCl)C(C)COC)c1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TP53 P04637 4/20 0.47
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 3/20 0.43
NR1I2 O75469 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
NLRP3 Q96P20 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 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
SCHEMBL30760739 1.00 THRB (0.50) THRBTP53ALDH1A1TDP1NR1I2
SCHEMBL19281448 1.00 THRB (0.50) THRBTP53ALDH1A1TDP1NR1I2
SCHEMBL2673039 0.88 THRB (0.50) THRBTP53ALDH1A1TDP1NR1I2
SCHEMBL9211321 0.87 THRB (0.55) THRBTP53ALDH1A1TDP1CYP3A4
SCHEMBL5093716 0.85 TP53 (0.59) THRBTP53ALDH1A1TDP1NR1I2
Metolachor SCHEMBL21385 0.82 ALDH1A1 (0.59) THRBTP53ALDH1A1TDP1NR1I2
Metolachor SCHEMBL338302 0.82 ALDH1A1 (0.59) THRBTP53ALDH1A1TDP1NR1I2
S-Metolachlor SCHEMBL118065 0.82 ALDH1A1 (0.59) THRBTP53ALDH1A1TDP1NR1I2
S-Metolachlor SCHEMBL31170483 0.82 ALDH1A1 (0.59) THRBTP53ALDH1A1TDP1NR1I2
Metolachor SCHEMBL18115413 0.82 ALDH1A1 (0.59) THRBTP53ALDH1A1TDP1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125048-A1 HERBICIDAL COMPOSITIONS AND METHODS SEPRO CORPORATION (US) 2022-04-28 US disclosed
US-11026423-B2 Herbicidal compositions and methods SEPRO CORPORATION (US) 2021-06-08 US disclosed
US-20200329708-A1 HERBICIDE COMBINATION UPL LIMITED EUROPE (GB) 2020-10-22 US disclosed
EP-3207800-B1 HERBICIDE COMBINATION UPL EUROPE LTD (GB) 2019-07-24 EP disclosed
US-9788543-B2 Herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2017-10-17 US disclosed
WO-2017140650-A1 HERBICIDE COMBINATION UPL EUROPE LTD (GB) 2017-08-24 WO disclosed
EP-3207800-A1 HERBICIDE COMBINATION UPL Europe Ltd (GB) 2017-08-23 EP disclosed
US-20160286802-A1 HERBICIDAL COMPOSITIONS AND METHODS SEPRO CORPORATION 2016-10-06 US disclosed
EP-2792243-B1 Methods of controlling algae with thaxtomin and thaxtomin compositions NOVOZYMES BIOLOGICALS INC (US) 2016-07-06 EP disclosed
US-9204642-B2 Herbicidal compositions and methods SEPRO CORPORATION (US) 2015-12-08 US disclosed
US-20150045216-A1 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 US disclosed
US-20140352213-A1 HERBICIDAL COMPOSITIONS AND METHODS SEPRO CORPORATION 2014-12-04 US disclosed
EP-2792243-A1 Methods of controlling algae with thaxtomin and thaxtomin compositions Novozymes Biologicals, Inc. (US) 2014-10-22 EP disclosed
EP-2520167-B1 Methods of controlling algae with thaxtomin and thaxtomin compositions NOVOZYMES BIOLOGICALS INC (US) 2014-05-21 EP disclosed
EP-2178374-B1 METHODS OF CONTROLLING ALGAE WITH THAXTOMIN AND THAXTOMIN COMPOSITIONS NOVOZYMES BIOLOGICALS INC (US) 2013-01-02 EP disclosed
EP-2520167-A1 Methods of controlling algae with thaxtomin and thaxtomin compositions Novozymes Biologicals, Inc. (US) 2012-11-07 EP disclosed
US-20080248956-A1 Methods of Controlling Algae With Thaxtomin and Thaxtomin Compositions NOVOZYMES BIOLOGICALS, INC. (US) 2008-10-09 US 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-20080248956-A1 Methods of Controlling Algae With Thaxtomin and Thaxtomin Compositions TSNAX, TAGLN2, TKFC THRB 1479/4885TP53 2493/4885ALDH1A1 4515/4885
US-20150045216-A1 HERBICIDAL COMPOSITIONS DDT, DDC, ALDH7A1 THRB 1163/4885TP53 134/4885ALDH1A1 49/4885
US-20200329708-A1 HERBICIDE COMBINATION DDT, DPP4, DPP7 THRB 505/4885TP53 2834/4885ALDH1A1 527/4885

“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.