SCHEMBL17811671

SCHEMBL17811671

Cc1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
PPARG P37231 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
GRM5 P41594 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P4HTM Q9NXG6 1/20 0.32

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
SCHEMBL16442855 0.87 ALDH1A1 (0.39) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL17614582 0.87 GYS1 (0.34) ADRB2PPARG
SCHEMBL17614550 0.87 SLC22A12 (0.39) PPARG
SCHEMBL18546258 0.86 NPC1 (0.40) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL16442825 0.85 ATM (0.38) PPARGNPC1RAB9AL3MBTL1
SCHEMBL17614596 0.85 FFAR4 (0.37) PPARG
SCHEMBL17796284 0.84 RAB9A (0.41) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL17811682 0.84 GABRA1 (0.31)
SCHEMBL16442821 0.84 NPC1 (0.40) PPARGNPC1RAB9APKMSMN1; SMN2
SCHEMBL16442822 0.83 NR1H4 (0.39) NPC1RAB9APKMSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US 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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 ADRB2 2025/4885PPARG 1421/4885CHRNB2 4163/4885

“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.