SCHEMBL24198752

SCHEMBL24198752

CCCC(C)(CC)C(=O)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.43
▸ VNN1 O95497 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ LOX P28300 1/20 0.37
▸ SMARCA2 P51531 1/20 0.36
▸ SMARCA4 P51532 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL24198772 0.83 TAS1R3 (0.38) ALDH1A1LOXL2LMNA
SCHEMBL24198724 0.81 AR (0.50) ALDH1A1LMNASMN1; SMN2HTTNPC1
SCHEMBL24198795 0.81 TAS1R3 (0.38) ALDH1A1SMARCA2SMARCA4
SCHEMBL29227517 0.75 DDR1 (0.46) DDR1VNN1ALDH1A1LOXL2LMNA
SCHEMBL24198695 0.75 DDR1 (0.42) DDR1ALDH1A1LMNA
Alcohol SCHEMBL28244007 0.74 KDM4C (0.47) DDR1VNN1ALDH1A1LOXL2LMNA
SCHEMBL16690807 0.73 SMARCA2 (0.49) DDR1VNN1LOXL2LMNASMN1; SMN2
SCHEMBL30016958 0.73 SMARCA2 (0.49) DDR1VNN1LOXL2LMNASMN1; SMN2
SCHEMBL28019417 0.72 VNN1 (0.58) DDR1VNN1LOXL2LOXSMARCA2
SCHEMBL15720401 0.71 SYK (0.54) DDR1VNN1ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD DDR1 2252/4885VNN1 205/4885ALDH1A1 4859/4885

“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.

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