SCHEMBL572323

SCHEMBL572323

CCc1cccc(C)c1N(CCCOC)C(=O)CCl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.65
ALDH1A1 P00352 5/20 0.65
TDP1 Q9NUW8 2/20 0.65
CYP3A4 P08684 1/20 0.65
NR1I2 O75469 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 2/20 0.43
TRPA1 O75762 1/20 0.43
GPX4 P36969 1/20 0.43
JAK2 O60674 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9210625 0.92 TP53 (0.68) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL27564754 0.87 TP53 (0.61) TP53ALDH1A1TDP1CYP3A4NR1I2
Acetochlor SCHEMBL18115344 0.85 TP53 (0.80) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9212304 0.85 TP53 (0.76) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL10726553 0.84 TP53 (0.84) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL8204724 0.84 ALDH1A1 (0.71) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL6907864 0.84 NR1I2 (0.75) TP53ALDH1A1TDP1CYP3A4NR1I2
Dimethachlor SCHEMBL8540169 0.83 TP53 (0.53) TP53ALDH1A1TDP1CYP3A4NR1I2
Dimethachlor SCHEMBL67002 0.83 TP53 (0.53) TP53ALDH1A1TDP1CYP3A4NR1I2
SCHEMBL9214429 0.82 NR1I2 (0.85) TP53ALDH1A1TDP1CYP3A4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010056040-A1 Controlling weeds; synergistic mixtures BAYER AKTIENGESELLSCHAFT KONZERNBEREICH RP PATENT UND LIZENZEN (DE) 2001-12-27 US claimed
EP-2600720-A1 PESTICIDAL TREATMENT COMPOSITIONS Gowan Comercio Internacional E Servicos Limitada (PT) 2013-06-12 EP disclosed
WO-2012018702-A1 PESTICIDAL TREATMENT COMPOSITIONS GOWAN COMERCIO INTERNACIONAL E SERVICOS LIMITADA (PT) 2012-02-09 WO disclosed
EP-0287072-B1 2-Phenoxypyrimidine derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-07-05 EP disclosed
EP-0249708-A1 2-Phenoxypyrimidine derivative and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-12-23 EP 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 (1 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-20010056040-A1 Controlling weeds; synergistic mixtures AS3MT, OSR1, MSRB3 TP53 4840/4885ALDH1A1 334/4885TDP1 3605/4885

“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.