SCHEMBL3822145

SCHEMBL3822145

c1ccc(OCC2CCCOO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.45
HRH3 Q9Y5N1 1/20 0.43
PDK1 Q15118 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM2 Q14416 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2700735 0.83 TDP1 (0.65) TDP1SMN1; SMN2HRH3PDK1MEN1
SCHEMBL28659846 0.77 TDP1 (0.71) TDP1SMN1; SMN2HRH3PDK1MEN1
SCHEMBL3250460 0.77 TDP1 (0.71) TDP1SMN1; SMN2HRH3PDK1MEN1
SCHEMBL3260505 0.74 SLC6A2 (0.45) SMN1; SMN2GRM2
Ammonia Solution, Strong SCHEMBL27469604 0.72 SLC6A2 (0.44) SMN1; SMN2GRM2
SCHEMBL1582872 0.72 TDP1 (1.00) TDP1SMN1; SMN2HRH3PDK1MEN1
SCHEMBL31220 0.72 TDP1 (1.00) TDP1SMN1; SMN2HRH3PDK1MEN1
SCHEMBL1583161 0.72 TDP1 (1.00) TDP1SMN1; SMN2HRH3PDK1MEN1
SCHEMBL17028904 0.72 TDP1 (1.00) TDP1SMN1; SMN2HRH3PDK1MEN1
Oxirane SCHEMBL1004512 0.72 TDP1 (0.89) TDP1SMN1; SMN2HRH3PDK1MEN1

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
EP-1828127-A4 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-äÝ4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL¨-(4-PIPERIDYL)üMETHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-29 EP disclosed
US-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-03-26 US disclosed
EP-1828127-A2 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-äÝ4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL¨-(4-PIPERIDYL)üMETHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-09-05 EP disclosed
WO-2006065659-A2 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]-(4-PIPERIDYL)}METHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-06-22 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 (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-20090082203-A1 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-{[4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL]- (4-PIPERIDYL)}METHANE DERIVATIVES DDT, API5, MSL1 TDP1 3184/4885SMN1; SMN2 768/4885HRH3 1192/4885

“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.