SCHEMBL12164792

SCHEMBL12164792

CCCCOC(=O)C(C)(CO)COC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
ATM Q13315 1/20 0.39
TSHR P16473 6/20 0.37
HPGD P15428 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
NAAA Q02083 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FAAH O00519 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33

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
SCHEMBL12938613 0.87 CYP4F2 (0.40) ALDH1A1TDP1LMNA
SCHEMBL8384168 0.86 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12938777 0.85 ALDH1A1 (0.36) ALDH1A1
SCHEMBL12164790 0.85 ALDH1A1 (0.36) ALDH1A1
SCHEMBL15457622 0.85 LMNA (0.46) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12564043 0.83 CHRM5 (0.44) ALDH1A1TSHRL3MBTL1LMNARAD52
SCHEMBL847248 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRL3MBTL1LMNA
SCHEMBL862911 0.82 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL15704809 0.81 ALDH1A1 (0.35) ALDH1A1TSHRLMNAHSD17B10SMN1; SMN2
SCHEMBL18679884 0.80 NAAA (0.46) ALDH1A1TSHRHCAR2NAAALMNA

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
US-20170114182-A1 BIODEGRADABLE POLYMERS, COMPLEXES THEREOF FOR GENE THERAPEUTICS AND DRUG DELIVERY, AND METHODS RELATED THERETO INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-04-27 US disclosed
US-9284404-B2 Antimicrobial polymers and methods of manufacture thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-03-15 US disclosed
US-8496946-B2 Antimicrobial hydrogels, methods of preparation thereof, and articles therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-07-30 US disclosed
US-8361495-B2 Antimicrobial polymers and methods of manufacture thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-01-29 US disclosed
US-20130011457-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-01-10 US disclosed
US-20120231060-A1 ANTIMICROBIAL HYDROGELS, METHODS OF PREPARATION THEREOF, AND ARTICLES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2012-09-13 US disclosed
US-20110151566-A1 BIODEGRADABLE POLYMERS, COMPLEXES THEREOF FOR GENE THERAPEUTICS AND DRUG DELIVERY, AND METHODS RELATED THERETO AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 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 (4 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-20130011457-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF MLEC, NOD2, PAM ALDH1A1 3648/4885ATM 4539/4885TSHR 4155/4885
US-20170114182-A1 BIODEGRADABLE POLYMERS, COMPLEXES THEREOF FOR GENE THERAPEUTICS AND DRUG DELIVERY, AND METHODS RELATED THERETO DCLRE1A, ODC1, MRTO4 ALDH1A1 555/4885ATM 4063/4885TSHR 4384/4885
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF MLEC, NOD2, PAM ALDH1A1 3648/4885ATM 4539/4885TSHR 4155/4885
US-20120231060-A1 ANTIMICROBIAL HYDROGELS, METHODS OF PREPARATION THEREOF, AND ARTICLES THEREFROM CLTB, ITGAM, PICALM ALDH1A1 3662/4885ATM 3501/4885TSHR 3625/4885

“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.