SCHEMBL17525545

SCHEMBL17525545

CN(C)C(=O)CCCC#Cc1cc(F)c(Br)cc1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 2/20 0.31

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
SCHEMBL22748831 0.76 KCNH2 (0.37) ALDH1A1
SCHEMBL7647360 0.74 TLR8 (0.36)
SCHEMBL17525547 0.71 HDAC1 (0.38) ALDH1A1
SCHEMBL9766914 0.64 KDM4E (0.42) ALDH1A1
SCHEMBL2763424 0.63 SMN1; SMN2 (0.46) ALDH1A1
SCHEMBL20810434 0.63 ACACB (0.42) ALDH1A1
SCHEMBL31424248 0.63 FFAR1 (0.39)
SCHEMBL16582457 0.62 ITGB1 (0.42) ALDH1A1
SCHEMBL28855895 0.62 ALDH1A1 (0.47) ALDH1A1
SCHEMBL31126519 0.61 ALDH1A1 (0.34) ALDH1A1

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 ALDH1A1 1024/4885IDO1 492/4885

“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.