SCHEMBL17848824

SCHEMBL17848824

CCC(C)(C)C(=O)OCCC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 1/20 0.45
RIPK1 Q13546 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NOTUM Q6P988 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17848886 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL17848852 0.89 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL116845 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL28532225 0.86 HTT (0.43) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL28533498 0.84 EPHX2 (0.41) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL14434080 0.82 KMT2A (0.46) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL801917 0.81 SMN1; SMN2 (0.48) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL30610377 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL1606962 0.80 RIPK1 (0.49) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL11964211 0.80 L3MBTL1 (0.47) ALDH1A1L3MBTL1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
EP-3233889-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2017-10-25 EP disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
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-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 ALDH1A1 4807/4885MAPK1 1910/4885L3MBTL1 2646/4885

“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.