SCHEMBL17878561

SCHEMBL17878561

CCC(C)C(=O)OC(C)(C)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
NLRP3 Q96P20 1/20 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
SCHEMBL20609287 0.85 MMP8 (0.31) MMP8CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL18068808 0.84 MMP8 (0.36) MMP8CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10148470 0.83 CA1 (0.35) MMP8CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL786077 0.83 CYP3A4 (0.33) MMP8CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL25468235 0.82 MMP8 (0.32) MMP8CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL17848845 0.82 HMGCR (0.37) MMP8CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL12390095 0.81 MMP8 (0.39) MMP8CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL17860868 0.80 CYP3A4 (0.32) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL10304138 0.80 LMNA (0.37) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL12934757 0.80 CYP3A4 (0.32) CYP3A4CYP1A2CYP2D6CYP2C9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 MMP8 786/4885CYP3A4 3756/4885CYP1A2 4501/4885

“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.