SCHEMBL17525547

SCHEMBL17525547

CN(C)C(=O)CCCCCc1cc(F)c(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TBXAS1 P24557 2/20 0.36
ALDH1A1 P00352 2/20 0.36
F13A1 P00488 3/20 0.35
LTB4R Q15722 3/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALOX5 P09917 1/20 0.34
HTT P42858 1/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
CCR2 P41597 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30428061 0.80 F13A1 (0.51) HDAC1HDAC8F13A1LTB4RLMNA
SCHEMBL19194935 0.78 LTB4R2 (0.41) HDAC1HDAC8TBXAS1ALDH1A1LTB4R
SCHEMBL19194942 0.78 LTB4R (0.36) HDAC1HDAC8TBXAS1ALDH1A1F13A1
SCHEMBL29010120 0.75 F13A1 (0.44) HDAC1HDAC8F13A1
SCHEMBL22748776 0.75 ALOX5 (0.43) HDAC1HDAC8ALOX5HTT
SCHEMBL17525546 0.75 ROCK1 (0.38) HDAC1HDAC8TBXAS1LTB4RLTB4R2
SCHEMBL7647324 0.73 ALOX5 (0.41) HDAC1HDAC8ALOX5HTT
SCHEMBL15632913 0.72 FFAR1 (0.46)
SCHEMBL17525545 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3659997 0.71 CA2 (0.39) ALDH1A1ALOX5CCR2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170222226-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-08-03 US disclosed
US-20170222226-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-08-03 US disclosed
WO-2016025467-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-18 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 (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-20170222226-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES SQOR, NDUFS4, NDUFS3 HDAC1 2317/4885HDAC8 4269/4885TBXAS1 1276/4885

“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.