SCHEMBL1238436

SCHEMBL1238436

OCC(CO)(CO)C(O)=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C3 P42330 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ESR1 P03372 1/20 0.39
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
FBP1 P09467 3/20 0.36
NR1I2 O75469 1/20 0.36
PRMT1 Q99873 1/20 0.35
LMNA P02545 1/20 0.35
KDM1A O60341 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
1,3-Propanediol SCHEMBL2865031 0.92 FBP1 (0.36) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2221643 0.84 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2863424 0.82 MEN1 (0.42) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL1304100 0.80 CYP2A6 (0.38) ALDH1A1AKR1C3CYP3A4KMT2A
SCHEMBL4275844 0.79 MEN1 (0.40) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL2362850 0.79 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL17685853 0.76 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4TP53LMNA
SCHEMBL7031297 0.73 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL12593472 0.73 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3AKR1C1ESR1
SCHEMBL14765003 0.73 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3AKR1C1ESR1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63264411-A None JP disclosed
US-9777034-B2 Modular synthesis of amphiphilic Janus glycodendrimers and their self-assembly into glycodendrimersomes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-10-03 US disclosed
US-9623046-B2 Amphiphilic Janus-dendrimers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-04-18 US disclosed
US-20160108076-A1 MODULAR SYNTHESIS OF AMPHIPHILIC JANUS GLYCODENDRIMERS AND THEIR SELF-ASSEMBLY INTO GLYCODENDRIMERSOMES NATIONAL SCIENCE FOUNDATION 2016-04-21 US disclosed
CN-105408300-A Method for producing (meth) acryloyl group-containing polyol compound, (meth) acryloyl group-containing polyol compound, and urethane (meth) acrylate DAINIPPON INK & CHEMICALS 2016-03-16 CN disclosed
WO-2015000123-A1 METHOD FOR MANUFACTURING (METH)ACRYLOYL GROUP-CONTAINING POLYOL COMPOUND, (METH)ACRYLOYL GROUP-CONTAINING POLYOL COMPOUND, AND URETHANE (METH)ACRYLATE DIC CORPORATION (JP) 2015-01-08 WO disclosed
WO-2014190024-A1 MODULAR SYNTHESIS OF AMPHIPHILIC JANUS GLYCODENDRIMERS AND THEIR SELF-ASSEMBLY INTO GLYCODENDRIMERSOMES PERCEC VIRGIL (US) 2014-11-27 WO disclosed
US-20120308640-A1 AMPHIPHILIC JANUS-DENDRIMERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-12-06 US disclosed
US-8318795-B2 Antioxidant polymers containing [1,2]-dithiolane moieties and uses thereof CEDARS-SINAI MEDICAL CENTER (US) 2012-11-27 US disclosed
CN-101341119-B Higher fatty acid triester and amide derivative having diethylenetriamine-type metal chelate structure FUJI PHOTO FILM CO LTD 2012-06-27 CN disclosed
WO-2007072983-A1 HIGHER FATTY ACID TRIESTER AND AMIDE DERIVATIVE HAVING DIETHYLENETRIAMINE-TYPE METAL CHELATE STRUCTURE FUJIFILM CORPORATION (JP) 2007-06-28 WO disclosed
US-5102895-A Antilipemic agent having a number of nicotinic acid molecule bonded to vitamin; synergistic, side effect reduction EISAI CO., LTD. (JP) 1992-04-07 US disclosed
EP-0436911-A2 Novel vitamin E derivatives and process for the production thereof Eisai Co., Ltd. (JP) 1991-07-17 EP disclosed
CN-1053062-A Novel vitamin E derivatives and process for preparing the same EISAI CO LTD (JP) 1991-07-17 CN disclosed
EP-0309248-A2 Acrylated diols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-29 EP disclosed
JP-S63264411-A CARCINOSTATIC AGENT RIKAGAKU KENKYUSHO 1988-11-01 JP disclosed
EP-0148094-A2 Anti-tumor agent comprising an O-benzylidene-L-ascorbic acid or a salt thereof, and the production of the latter compound Kochi, Mutsuyuki (JP) 1985-07-10 EP disclosed
EP-0123679-A1 ESTERS OF RETINOIC ACID AND PENTAERYTHRITOL AND MONOBENZAL ACETALS THEREOF SRI INTERNATIONAL (US) 1984-11-07 EP disclosed
US-4464389-A SKIN DISORDERS, ANTITUMOR AGENTS SRI INTERNATIONAL (US) 1984-08-07 US disclosed
WO-1984001573-A1 ESTERS OF RETINOIC ACID AND PENTAERYTHRITOL AND MONOBENZAL ACETALS THEREOF STANFORD RES INST INT (US) 1984-04-26 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 (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-20120308640-A1 AMPHIPHILIC JANUS-DENDRIMERS OR10J3, H1-10, CXCR3 ALDH1A1 4511/4885TSHR 852/4885AKR1C3 2325/4885
US-20160108076-A1 MODULAR SYNTHESIS OF AMPHIPHILIC JANUS GLYCODENDRIMERS AND THEIR SELF-ASSEMBLY INTO GLYCODENDRIMERSOMES C1S, PYM1, DEGS1 ALDH1A1 1539/4885TSHR 1820/4885AKR1C3 399/4885

“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.