SCHEMBL4115203

SCHEMBL4115203

COc1ncccc1-c1cccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.45
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ELANE P08246 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSA P10619 1/20 0.39
PDE10A Q9Y233 2/20 0.39
PDE2A O00408 1/20 0.39
APLNR P35414 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SOS1 Q07889 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL1763803 0.79
SCHEMBL30064007 0.79
SCHEMBL30163765 0.77 ALDH1A1 (0.50) BTKNPC1RAB9AELANEL3MBTL1
SCHEMBL29154793 0.77 ALDH1A1 (0.50) BTKNPC1RAB9AELANEL3MBTL1
SCHEMBL4115207 0.77 HTR1A (0.42) HTR1ASLC6A2SLC6A4L3MBTL1CTSA
SCHEMBL19430945 0.76 ALOX5AP (0.45) BTKALOX5APFEN1NPC1RAB9A
SCHEMBL12678824 0.74 ALOX5AP (0.39) BTKALOX5APFEN1NPC1RAB9A
SCHEMBL15674356 0.74 NPC1 (0.56) BTKALOX5APFEN1NPC1RAB9A
SCHEMBL29501268 0.74 NPC1 (0.56) BTKALOX5APFEN1NPC1RAB9A
SCHEMBL29501222 0.73 FEN1 (0.62) BTKALOX5APFEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THOMPSON MARK E 2009-04-30 US disclosed
US-7482451-B2 Organic light emitting materials with anionic ligand THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-01-27 US disclosed
EP-1539773-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-06-15 EP disclosed
US-20040102632-A1 Organic light emitting materials with anionic ligand UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-05-27 US disclosed
WO-2004017043-A2 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-02-26 WO 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 (2 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-20090111989-A1 ORGANIC LIGHT EMITTING MATERIALS WITH ANIONIC LIGAND MAP1LC3C, ORC3, EML4 BTK 1742/4885ALOX5AP 3763/4885FEN1 3024/4885
US-20040102632-A1 Organic light emitting materials with anionic ligand MAP1LC3C, ORC3, EML4 BTK 1742/4885ALOX5AP 3763/4885FEN1 3024/4885

“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.