SCHEMBL5363776

SCHEMBL5363776

Oc1ccc(Cl)c2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.56
CYP3A4 P08684 4/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 4/20 0.46
ALOX15 P16050 3/20 0.46
ALOX12 P18054 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
HSP90AA1 P07900 3/20 0.45
HIF1A Q16665 3/20 0.45
IDO1 P14902 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HSPA5 P11021 2/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL17787243 0.88 HSD17B10 (0.56) HSD17B10CYP3A4TSHRALDH1A1TDP1
SCHEMBL29780384 0.83 TP53 (0.55) HSD17B10CYP3A4TSHRALDH1A1TDP1
SCHEMBL5863631 0.83 TP53 (0.55) HSD17B10CYP3A4TSHRALDH1A1TDP1
SCHEMBL15961769 0.77 HSD17B10 (0.50) HSD17B10CYP3A4TSHRALDH1A1TDP1
SCHEMBL25408639 0.74 HSD17B10 (0.46) HSD17B10CYP3A4TSHRALDH1A1TDP1
SCHEMBL3935 0.73 IDO1 (0.68) HSD17B10CYP3A4TSHRALDH1A1TDP1
SCHEMBL6242615 0.72 HSD17B10 (0.62) HSD17B10CYP3A4TSHRALDH1A1TDP1
SCHEMBL19553825 0.72 HSD17B10 (1.00) HSD17B10CYP3A4TSHRALDH1A1TDP1
2,4-Dichlorophenol SCHEMBL77936 0.72
SCHEMBL177878 0.72

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 HSD17B10 1325/4885CYP3A4 150/4885TSHR 896/4885
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 HSD17B10 1325/4885CYP3A4 150/4885TSHR 896/4885

“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.