SCHEMBL17355671

SCHEMBL17355671

CCCCOP(=O)(CC(C)=O)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
LPAR3 Q9UBY5 6/20 0.45
LPAR2 Q9HBW0 4/20 0.45
LPAR1 Q92633 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL2994532 0.87 MEN1 (0.35) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL9067973 0.83 CYP3A4 (0.52) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL17860875 0.82 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL15951693 0.80 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL2238085 0.80 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL15951705 0.79 CYP3A4 (0.47) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL17878594 0.79 CYP3A4 (0.47) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL28916156 0.79 CYP3A4 (0.47) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL2354042 0.79 CYP3A4 (0.47) CYP3A4LPAR3LPAR2LPAR1ALDH1A1
SCHEMBL11645517 0.79 CYP3A4 (0.47) CYP3A4LPAR3LPAR2LPAR1ALDH1A1

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 4 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
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 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 (2 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 CYP3A4 3376/4885LPAR3 2391/4885LPAR2 1392/4885
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 CYP3A4 3756/4885LPAR3 2783/4885LPAR2 4266/4885

“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.