SCHEMBL17525546

SCHEMBL17525546

CN(C)C(=O)CCCCCc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
TBXAS1 P24557 2/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
CXCR2 P25025 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
LPL P06858 3/20 0.30
LIPG Q9Y5X9 3/20 0.30

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
SCHEMBL22748403 0.80 LIPG (0.48) ROCK1LPLLIPG
SCHEMBL28689244 0.79 LIPG (0.43) ROCK1CXCR2LIPG
SCHEMBL17525547 0.75 HDAC1 (0.38) TBXAS1LTB4RLTB4R2HDAC1HDAC8
SCHEMBL17165827 0.72 ROCK1 (0.36) ROCK1CXCR2LPLLIPG
SCHEMBL31254711 0.72 ROCK1 (0.36) ROCK1CXCR2LPLLIPG
SCHEMBL22575294 0.71 AR (0.38) ROCK1LPLLIPG
SCHEMBL25241808 0.70 ROCK1 (0.37) ROCK1CXCR2LIPG
SCHEMBL22527705 0.70 ROCK1 (0.39) ROCK1CXCR2
SCHEMBL29535058 0.70 ROCK1 (0.39) ROCK1CXCR2
SCHEMBL19194935 0.70 LTB4R2 (0.41) TBXAS1LTB4RLTB4R2HDAC1HDAC8

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-10727488-B2 Redox mediators for metal-sulfur batteries THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-07-28 US disclosed
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 (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-10727488-B2 Redox mediators for metal-sulfur batteries SQOR, NDUFS4, NDUFS3 ROCK1 4667/4885TBXAS1 1276/4885LTB4R 866/4885
US-20170222226-A1 REDOX MEDIATORS FOR METAL-SULFUR BATTERIES SQOR, NDUFS4, NDUFS3 ROCK1 4667/4885TBXAS1 1276/4885LTB4R 866/4885

“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.