SCHEMBL17882018

SCHEMBL17882018

CCCC(=O)OC(C)(C)CCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
DGKA P23743 1/20 0.30
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30
ELANE P08246 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL645760 0.93 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CES2CES1
SCHEMBL24106170 0.87 CES1 (0.41) ALDH1A1LMNACES2CES1TSHR
SCHEMBL17860695 0.85 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
SCHEMBL28406124 0.85 DGKA (0.48) ALDH1A1LMNACES2CES1TSHR
SCHEMBL129268 0.85 ALDH1A1 (0.43) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL17848826 0.85 FFAR3 (0.41) ALDH1A1LMNAHSD17B10HDAC3HDAC1
SCHEMBL5837034 0.85 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL6784510 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAAELANE
SCHEMBL1998916 0.84 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1HDAC3
SCHEMBL452970 0.84 GAA (0.39) ALDH1A1LMNAHSD17B10TSHRGAA

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 ALDH1A1 4807/4885LMNA 660/4885HSD17B10 3530/4885

“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.