SCHEMBL9944563

SCHEMBL9944563

O=C(Cl)c1ccc2c(c1)CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HSD17B1 P14061 4/20 0.50
SRD5A1 P18405 4/20 0.49
SRD5A2 P31213 4/20 0.49
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PRKCI P41743 1/20 0.44
GRM5 P41594 1/20 0.44
PBRM1 Q86U86 1/20 0.43
BAZ2B Q9UIF8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
RAB9A P51151 2/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9944562 0.89 MAOA (0.59) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL11806865 0.88 SRD5A2 (0.59) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL1275273 0.83 SRD5A2 (0.66) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL29431442 0.83 SRD5A2 (0.66) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL1091518 0.81 CASP1 (0.56) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL10518407 0.81 CASP1 (0.52) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL8253223 0.81 NPC1 (0.61) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL18724460 0.80 SRD5A2 (0.47) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL8254416 0.79 CASP1 (0.49) CASP1CASP7HSD17B10HSD17B1SRD5A1
SCHEMBL10587731 0.78 ALDH1A1 (0.55) SRD5A1SRD5A2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 US disclosed
WO-2011018170-A2 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-02-17 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-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC CASP1 640/4885CASP7 119/4885HSD17B10 2981/4885

“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.