SCHEMBL24198786

SCHEMBL24198786

CCC(C)(C)C(=O)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ TAS1R2 Q8TE23 2/20 0.42
▸ RECQL P46063 1/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ SMARCA2 P51531 3/20 0.38
▸ SMARCA4 P51532 3/20 0.38
▸ LOX P28300 1/20 0.36
▸ LOXL3 P58215 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GRM5 P41594 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
SCHEMBL15114397 0.83 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2RECQLCA12
SCHEMBL24198795 0.82 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2RECQLCA12
SCHEMBL24198770 0.81 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2LOXL2ALDH1A1
SCHEMBL24198783 0.81 AR (0.45) CA12CA9ALDH1A1RIPK1AR
SCHEMBL30237286 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2RECQLCA12
SCHEMBL5860112 0.76 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2RECQLCA12
SCHEMBL24198766 0.75 NAPRT (0.53) ALDH1A1MAPTL3MBTL1
Alcohol SCHEMBL28687926 0.75 KDM5B (0.52) TAS1R3TAS1R1TAS1R2RECQLALDH1A1
Tert-Butanol SCHEMBL27878420 0.75 KDM4C (0.52) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL21186726 0.73 ACHE (0.46) L3MBTL1RIPK1

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.

Send feedback