SCHEMBL3218909

SCHEMBL3218909

CCCC#C[CH]c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
RELA Q04206 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
MAOB P27338 1/20 0.31
CYP2A6 P11509 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 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
SCHEMBL2658420 0.88 LMNA (0.38) NPC1POLBMAPTRAB9ALMNA
SCHEMBL2659453 0.83 RELA (0.35) RELAMEN1KMT2ANPC1MAPT
SCHEMBL3226131 0.80 HSD17B10 (0.35) LMNAMAOBCYP2A6PTGS2
SCHEMBL3228118 0.77 ALDH1A1 (0.42) RELANPC1MAPTNFKB1RAB9A
SCHEMBL7214831 0.74 ALDH1A1 (0.33) POLBMAPTLMNATDP1ALDH1A1
SCHEMBL3218837 0.73 TRPA1 (0.35) RELAMEN1KMT2AMAPTALDH1A1
SCHEMBL613220 0.71 CYP1A2 (0.54) TLR8MEN1KMT2ANPC1POLB
SCHEMBL9784179 0.71 CYP1A2 (0.54) TLR8MEN1KMT2ANPC1POLB
SCHEMBL2658166 0.70 ALDH1A1 (0.38) RELALMNATDP1ALDH1A1TSHR
SCHEMBL4076697 0.70 MAOB (0.39) RELAMEN1KMT2ANPC1LMNA

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-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 TLR8 3228/4885RELA 3677/4885MEN1 1512/4885

“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.