SCHEMBL402987

SCHEMBL402987

CCCCCCCCc1cc(-c2c(CCCCCCCC)cc(-c3ccc(N)cc3)c3ccccc23)c2ccccc2c1-c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
DHFR P00374 1/20 0.39
LIPG Q9Y5X9 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10041933 0.93 TLR8 (0.43) TLR8CNR1CNR2MAPTKDM4E
SCHEMBL14825180 0.80 CNR1 (0.48) TLR8CNR1CNR2MAPTKDM4E
SCHEMBL25710975 0.76 TLR8 (0.38) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL20079879 0.75 TLR8 (0.37) TLR8MAPTKDM4EUSP2ALDH1A1
SCHEMBL406374 0.75 CNR1 (0.36) CNR1CNR2DHFRACHEMEN1
SCHEMBL402984 0.75 SREBF2 (0.41) CNR2
SCHEMBL26707576 0.74 ICMT (0.38) TLR8MAPTALDH1A1LIPGCTSV
SCHEMBL28596302 0.74 CNR1 (0.49) TLR8CNR1CNR2MAPTKDM4E
SCHEMBL11117159 0.74 CNR1 (0.49) TLR8CNR1CNR2MAPTKDM4E
SCHEMBL26707599 0.73 ADORA3 (0.35) TLR8MAPTKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065432-A1 ELECTROACTIVE MATERIALS E.I DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 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-20120065432-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B TLR8 2497/4885CNR1 228/4885CNR2 338/4885

“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.