SCHEMBL17860697

SCHEMBL17860697

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.40
CA1 P00915 3/20 0.40
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CTSK P43235 1/20 0.35
MAPK1 P28482 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
ALOX15 P16050 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
SCHEMBL17860729 0.86 CA2 (0.35) CA2CA1USP2TSHRALDH1A1
SCHEMBL1534782 0.86 ALDH1A1 (0.37) CA2CA1USP2TSHRALDH1A1
SCHEMBL12790573 0.86 CA2 (0.48) CA2CA1TSHRCTSKMAPK1
SCHEMBL17882032 0.86 PRKCA (0.45) CA2CA1USP2TSHRALDH1A1
SCHEMBL17878558 0.84 BIRC2 (0.37) CA2CA1USP2TSHRCTSK
SCHEMBL7224912 0.81 CTSK (0.39) CA2CA1USP2TSHRALDH1A1
SCHEMBL28162253 0.79 CA2 (0.40) CA2CA1USP2TSHRALDH1A1
SCHEMBL827371 0.79 CTSK (0.35) CA2CA1TSHRALDH1A1CTSK
SCHEMBL684789 0.79 TSHR (0.43) CA2CA1USP2TSHRALDH1A1
SCHEMBL4834711 0.77 TSHR (0.36) TSHRALDH1A1CTSKLMNAHSD17B10

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 3 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
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO 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 CA2 4335/4885CA1 4817/4885USP2 4394/4885

“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.