SCHEMBL17811683

SCHEMBL17811683

Cc1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)nc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXRA P19793 6/20 0.32
GRIN1 Q05586 6/20 0.32
GRIN2B Q13224 6/20 0.32
PPARG P37231 1/20 0.32
PKM P14618 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GABRA5 P31644 4/20 0.31
KDM1A O60341 1/20 0.31
FFAR1 O14842 2/20 0.31

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
SCHEMBL16437205 0.89 GABRA5 (0.41) KDM4EPKMGABRA5FFAR1
SCHEMBL17811682 0.86 GABRA1 (0.31) RXRAGRIN1GRIN2BFFAR1
SCHEMBL17811681 0.86 RXRA (0.46) RXRAGRIN1GRIN2B
SCHEMBL17804272 0.85 ACACB (0.36) PPARGPKMGABRA5
SCHEMBL16439376 0.85 NR1H4 (0.31) RXRAGRIN1GRIN2B
SCHEMBL16442855 0.85 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10PKM
SCHEMBL17811666 0.84 PPARG (0.34) RXRAGRIN1GRIN2BPPARGPKM
SCHEMBL17811680 0.84 PKM (0.32) PKMKDM1AFFAR1
SCHEMBL17796906 0.83 PPARG (0.35) RXRAGRIN1GRIN2BPPARGGABRA5
SCHEMBL17804259 0.82 BRD9 (0.33) PKMGABRA5FFAR1

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 KDM4E 2743/4885ALDH1A1 811/4885HSD17B10 548/4885

“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.