SCHEMBL2228643

SCHEMBL2228643

O=C(CCCCCc1ccccc1)N(CCCO)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.61
GAA P10253 1/20 0.60
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 1/20 0.57
KDM4A O75164 1/20 0.57
KDM5A P29375 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
PHF8 Q9UPP1 1/20 0.57
KDM2A Q9Y2K7 1/20 0.57
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
REN P00797 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MC4R P32245 4/20 0.49
MC5R P33032 4/20 0.49
MC3R P41968 4/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL23120358 0.82 ALOX5 (0.53) ALOX5GAAHDAC1HDAC6MAPT
SCHEMBL21242365 0.81 HDAC1 (0.59) ALOX5GAAHDAC1HDAC6REN
SCHEMBL4207867 0.81 HDAC1 (0.57) ALOX5GAAHDAC1HDAC6REN
SCHEMBL7129964 0.81 ALOX5 (0.66) ALOX5HDAC1HDAC6KDM4AKDM5A
SCHEMBL2798062 0.80 REN (0.61) ALOX5GAAHDAC1HDAC6REN
SCHEMBL14224515 0.80 HDAC1 (0.58) GAAHDAC1HDAC6RENLTB4R2
SCHEMBL15062810 0.80 KDM4A (0.61) ALOX5GAAHDAC1HDAC6KDM4A
SCHEMBL8285512 0.79 HDAC1 (0.71) ALOX5HDAC1HDAC6KDM4AKDM5A
SCHEMBL13965297 0.79 HDAC1 (0.71) ALOX5HDAC1HDAC6KDM4AKDM5A
SCHEMBL16333819 0.78 REN (0.54) HDAC1HDAC6RENALDH1A1MC4R

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
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST ALOX5 4560/4885GAA 144/4885HDAC1 1382/4885

“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.