SCHEMBL2167004

SCHEMBL2167004

[CH2]CCCCOC(CCC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.36
AOC3 Q16853 2/20 0.35
HTT P42858 2/20 0.34
SLC6A4 P31645 2/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
SLC7A5 Q01650 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LTA4H P09960 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL2165677 0.98 CASR (0.36) CASRAOC3HTTSLC6A4NPC1
SCHEMBL6538968 0.89 LTA4H (0.39) CASRNPC1LMNARAB9ASMN1; SMN2
SCHEMBL919040 0.86 LTA4H (0.43) CASRAOC3HTTSLC6A4NPC1
SCHEMBL6538486 0.86 NPC1 (0.41) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL10887231 0.81 AOC3 (0.38) AOC3HTTSLC6A4LMNASMN1; SMN2
SCHEMBL28042427 0.81 LTA4H (0.43) CASRNPC1LMNARAB9ASMN1; SMN2
SCHEMBL8853289 0.81 LTA4H (0.43) CASRNPC1LMNARAB9ASMN1; SMN2
SCHEMBL6539297 0.80 LTA4H (0.42) HTTNPC1LMNARAB9ASMN1; SMN2
SCHEMBL28042226 0.80 NPC1 (0.43) NPC1LMNARAB9ASMN1; SMN2SLC7A5
SCHEMBL28042470 0.80 NPC1 (0.43) NPC1LMNARAB9ASMN1; SMN2SLC7A5

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
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
US-7985287-B2 Anthrapyridone compound or a salt thereof, magenta ink composition containing the anthrapyridone compound and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
EP-2243805-A1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2010-10-27 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-20100291360-A1 Anthrapyridone Compound Or A Salt Thereof, Magenta Ink Composition Containing The Anthrapyridone Compound and Colored Product MLLT3, MLLT1, H1-3 CASR 2216/4885AOC3 387/4885HTT 1497/4885

“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.