SCHEMBL5360904

SCHEMBL5360904

C=CCc1ccccc1C(=O)N(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
KEAP1 Q14145 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
ABCC1 P33527 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL8345602 0.84 KEAP1 (0.47) HPGDHSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL10479354 0.83 KDM4E (0.56) HPGDHSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL6647138 0.83 TP53 (0.55) HPGDKEAP1TP53TSHRMAPK1
SCHEMBL8688316 0.81 TP53 (0.50) HPGDHSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL1097237 0.80 TP53 (0.52) HPGDKEAP1TP53TSHRMAPK1
SCHEMBL29822323 0.78 TP53 (0.69) HPGDKEAP1TP53TSHRMAPK1
SCHEMBL610480 0.78 TP53 (0.69) HPGDKEAP1TP53TSHRMAPK1
SCHEMBL7287054 0.78 HCRTR1 (0.60) HPGDKEAP1TP53TSHRMAPK1
SCHEMBL4155173 0.78 TP53 (0.50) HPGDKEAP1TP53TSHRMAPK1
SCHEMBL6772801 0.78 TP53 (0.50) HPGDKEAP1TP53TSHRMAPK1

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 8 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-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 HPGD 3751/4885HSD17B10 1325/4885CYP1A2 48/4885
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 HPGD 3751/4885HSD17B10 1325/4885CYP1A2 48/4885

“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.