SCHEMBL24198772

SCHEMBL24198772

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ AR P10275 2/20 0.36
▸ KDM5A P29375 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PFKFB3 Q16875 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ KDM2B Q8NHM5 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
SCHEMBL24198752 0.83 DDR1 (0.43) LMNAALDH1A1LOXL2
SCHEMBL24198795 0.83 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2ARKDM5A
SCHEMBL24198724 0.83 AR (0.50) ARKDM5AKDM5BKDM4ELMNA
SCHEMBL24198770 0.82 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2KDM4ELMNA
SCHEMBL13875969 0.78 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2KDM5AKDM5B
SCHEMBL18994707 0.72 HPGD (0.47) TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL27144504 0.72 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2KDM4ELMNA
SCHEMBL20902727 0.70 ADORA3 (0.42) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL21919758 0.70 CA5A (0.36) LMNA
SCHEMBL24435634 0.70 SERPINE1 (0.45) KDM4ELMNAALDH1A1POLB

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 TAS1R3 3926/4885TAS1R1 4287/4885TAS1R2 4336/4885

“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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