SCHEMBL23399592

SCHEMBL23399592

CCCCn1nc(-c2ccccc2C)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
NR1H3 Q13133 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.39
CNR2 P34972 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL23398927 0.91 RAB9A (0.42) TLR8RAB9ATDP1L3MBTL1ESR1
SCHEMBL23400527 0.85 RAB9A (0.44) RAB9ATDP1L3MBTL1MAPTHPGD
SCHEMBL23400340 0.81 NR1H3 (0.50) TLR8NR1H3MAPTSMN1; SMN2MEN1
SCHEMBL23401375 0.78 RAB9A (0.39) RAB9ATDP1L3MBTL1MAPTHPGD
SCHEMBL23402491 0.77 SMPD1 (0.41) TLR8NR1H3ESR1CNR2TSHR
SCHEMBL23403457 0.77 CYP1A2 (0.44) RAB9ATDP1L3MBTL1MAPTHPGD
SCHEMBL23401724 0.77 SMN1; SMN2 (0.43) TLR8RAB9ATDP1NR1H3L3MBTL1
SCHEMBL23402054 0.76 TLR8 (0.48) TLR8RAB9ANR1H3L3MBTL1ESR1
SCHEMBL23400324 0.74 NR1H3 (0.40) TLR8NR1H3ESR1MAPTMEN1
SCHEMBL18198220 0.74 TDP1 (0.41) TLR8RAB9ATDP1L3MBTL1MAPT

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. 2017-01-05 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-20170000897-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM TLR8 3173/4885RAB9A 1141/4885TDP1 2158/4885

“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.