SCHEMBL6745977

SCHEMBL6745977

c1ccc(-c2c(-c3ccc(-c4nc5ccccc5o4)nc3)sc(-c3ccc(-c4nc5ccccc5o4)nc3)c2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 7/20 0.49
RAB9A P51151 6/20 0.49
HSD17B10 Q99714 6/20 0.49
TP53 P04637 5/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 4/20 0.46
HCRTR1 O43613 2/20 0.46
PKM P14618 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6747675 0.93 NPC1 (0.46) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL26023364 0.84 NPC1 (0.58) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL13067700 0.83 NPC1 (0.54) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL14939052 0.83 NPC1 (0.64) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL6744070 0.80 HSD17B10 (0.49) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL13621024 0.78 NPC1 (0.50) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL787351 0.76 NPC1 (0.50) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL6745931 0.76 CYP2A6 (0.46) CYP1A2
SCHEMBL6745928 0.76 RAB9A (0.52) NPC1ALDH1A1RAB9AHSD17B10TP53
SCHEMBL787376 0.74 NPC1 (0.49) NPC1ALDH1A1HPGDRAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696182-B2 HIGH PERFORMANCE DIPYRIDYL THIOPHENE OR DIPYRIDYL THIOPHENE DIOXIDE ELECTRON TRANSPORT MATERIALS WHICH WHEN EMPLOYED CAN GIVE LOW-VOLTAGE, HIGH EFFICIENCY ORGANIC ELECTROLUMINESCENT DEVICES CHISSO CORPORATION (JP) 2004-02-24 US disclosed
EP-1186605-B1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORP (JP) 2003-04-16 EP disclosed
US-20020034658-A1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORPORATION (JP) 2002-03-21 US disclosed
EP-1186605-A1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORPORATION (JP) 2002-03-13 EP 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-20020034658-A1 Organic electroluminescent device comprising dipyridylthiophene derivative LAGE3, MAL2, ELF3 NPC1 4465/4885ALDH1A1 1192/4885HPGD 2418/4885

“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.