SCHEMBL17878560

SCHEMBL17878560

CCCC(CC)OC(=O)C(CC)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
CTSK P43235 1/20 0.35
BIRC2 Q13490 1/20 0.34
CPA1 P15085 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL17878558 0.89 BIRC2 (0.37) CA2CA1CTSKBIRC2CPA1
SCHEMBL17882032 0.87 PRKCA (0.45) PRKCAPRKCDCA2CA1CTSK
SCHEMBL7217293 0.84 CA2 (0.43) CA2CA1CTSKBIRC2CHRM1
SCHEMBL17878544 0.84 PRKCA (0.41) PRKCAPRKCDCA2CA1CTSK
SCHEMBL17860690 0.80 PRKCA (0.41) PRKCAPRKCDCA2CA1CTSK
SCHEMBL7219275 0.79 CTSK (0.44) CA2CA1CTSKBIRC2CHRM1
SCHEMBL7224912 0.79 CTSK (0.39) CA2CA1CTSKBIRC2ADRA1A
SCHEMBL12790573 0.79 CA2 (0.48) PRKCAPRKCDCA2CA1CTSK
SCHEMBL4106619 0.79 PRKCA (0.45) PRKCAPRKCDCA2CA1CTSK
SCHEMBL22641516 0.78 DAGLA (0.38) PRKCAPRKCDCTSKBIRC2TDP1

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 PRKCA 4390/4885PRKCD 4273/4885CA2 4335/4885

“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.