SCHEMBL16019344

SCHEMBL16019344

CCS(=O)(=O)c1ccccc1C(C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.43
PLCG1 P19174 1/20 0.35
HSD11B1 P28845 5/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
COMT P21964 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL16019356 0.84 EPHX2 (0.37) PSIP1ADRA2CADRA1DADRA1AADRA1B
SCHEMBL10179719 0.83 PSIP1 (0.46) PSIP1PLCG1HSD11B1ADRA2AADRA2C
SCHEMBL10181749 0.80 PSIP1 (0.43) PSIP1PLCG1HSD11B1ADRA2AADRA2C
SCHEMBL10292998 0.80 KMT2A (0.53) PSIP1HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL14349353 0.79 BCAT2 (0.37) HSD11B1ADRA2AADRA2CALDH1A1KMT2A
SCHEMBL28680071 0.78 PSIP1 (0.59) PSIP1PLCG1HSD11B1ADRA2AADRA2C
SCHEMBL16019345 0.74 ADRA2A (0.35) HSD11B1ADRA2AADRA1DADRA1AADRA1B
SCHEMBL16019355 0.74 MEN1 (0.40) HSD11B1ALDH1A1KMT2AMEN1TDP1
SCHEMBL7555217 0.72 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2D6
SCHEMBL29832783 0.72 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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 (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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 PSIP1 2532/4885PLCG1 925/4885HSD11B1 1661/4885

“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.