SCHEMBL5356846

SCHEMBL5356846

CCN(CC)CCSc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
ALDH1A1 P00352 7/20 0.47
ALDH1A3 P47895 2/20 0.44
ALDH3A1 P30838 1/20 0.44
HPGD P15428 5/20 0.43
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC6 Q9UBN7 7/20 0.41
SERPINE1 P05121 1/20 0.40
CYP2A6 P11509 2/20 0.38
CYP2A13 Q16696 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7354122 0.84 SERPINE1 (0.55) SLC2A1ALDH1A1ALDH1A3ALDH3A1HPGD
SCHEMBL8595279 0.81 ALDH1A1 (0.54) SLC2A1ALDH1A1ALDH1A3ALDH3A1HPGD
SCHEMBL3422695 0.78 SLC2A1 (0.58) SLC2A1ALDH1A1NPSR1LMNA
SCHEMBL3405047 0.78 ALDH1A1 (0.50) SLC2A1ALDH1A1ALDH1A3ALDH3A1HPGD
SCHEMBL1735242 0.78 SLC2A1 (0.58) SLC2A1ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL7061665 0.77 SLC2A1 (0.56) SLC2A1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL710758 0.77 ALDH1A1 (0.58) ALDH1A1ALDH1A3ALDH3A1HPGDMAPT
Hydrochloric Acid SCHEMBL3750296 0.76 SLC2A1 (0.56) SLC2A1ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL11535429 0.76 SLC2A1 (0.55) SLC2A1ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL6689838 0.75 THRB (0.49) SLC2A1ALDH1A1ALDH1A3ALDH3A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018202681-A1 USE OF DISUBSTITUTED BENZENES TO CONTROL INSECTICIDE-RESISTANT PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-08 WO disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 US disclosed
US-6753429-B2 FOR USE AS INSECTICIDES AGAINST A VARIETY OF INSECTS, INCLUDING LARVAE, SUCH AS TOBACCO BUDWORM FMC CORPORATION 2004-06-22 US disclosed
US-20030207894-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2003-11-06 US disclosed
EP-1334083-A2 1,4-DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2003-08-13 EP disclosed
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2002-12-05 US disclosed
WO-2002017712-A2 DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2002-03-07 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-20030207894-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 SLC2A1 3661/4885ALDH1A1 65/4885ALDH1A3 667/4885
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 SLC2A1 3661/4885ALDH1A1 65/4885ALDH1A3 667/4885

“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.