SCHEMBL17878613

SCHEMBL17878613

CCCCOP(=O)(NC(=O)C(C)C)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
LPAR3 Q9UBY5 3/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
GAA P10253 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL17860954 0.79 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL1784617 0.78 CYP3A4 (0.48) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL5615920 0.76 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2NPC1
SCHEMBL19386970 0.75 CYP3A4 (0.45) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL4609562 0.72 CYP3A4 (0.50) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL28674444 0.70 CYP3A4 (0.48) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL17878594 0.69 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL17878591 0.69 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL17848859 0.69 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL3067605 0.69 AKT1 (0.56) CYP3A4LPAR3LPAR1LPAR2TSHR

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 CYP3A4 3756/4885LPAR3 2783/4885LPAR1 3457/4885

“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.