SCHEMBL2900722

SCHEMBL2900722

OCCOCC(O)CCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL20262946 0.95 MEN1 (0.52) THRBTSHRMAPK1MEN1KMT2A
SCHEMBL7206346 0.95 MEN1 (0.52) THRBTSHRMAPK1MEN1KMT2A
SCHEMBL350840 0.86 TSHR (0.53) THRBTSHRMAPK1MEN1KMT2A
SCHEMBL7936270 0.86 THRB (0.53) THRBTSHRMAPK1USP2ALDH1A1
SCHEMBL9736299 0.85 HSD17B10 (0.56) THRBTSHRMEN1KMT2AUSP2
SCHEMBL28238169 0.85 TSHR (0.41) THRBTSHRMAPK1MEN1KMT2A
SCHEMBL7880864 0.85 USP2 (0.45) THRBTSHRMEN1KMT2AUSP2
SCHEMBL7777482 0.83 TSHR (0.39) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL30519837 0.83 TSHR (0.39) TSHRMAPK1MEN1KMT2AUSP2
SCHEMBL795575 0.83 USP2 (0.48) THRBTSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111615528-A Dendrimer delivery systems and methods of use thereof 约翰霍普金斯大学 2020-09-01 CN claimed
US-9334459-B2 Method and composition for preventing oxidation MIDWEST INDUSTRIAL SUPPLY, INC. (US) 2016-05-10 US claimed
US-9029445-B2 Method and composition for preventing oxidation MIDWEST INDUSTRIAL SUPPLY, INC. (US) 2015-05-12 US claimed
US-9018287-B2 Method and composition for preventing oxidation MIDWEST INDUSTRIAL SUPPLY, INC. (US) 2015-04-28 US claimed
US-20140331551-A1 METHOD AND COMPOSITION FOR PREVENTING OXIDATION THE HUNTINGTON NATIONAL BANK 2014-11-13 US claimed
US-20140323626-A1 METHOD AND COMPOSITION FOR PREVENTING OXIDATION MIDWEST INDUSTRIAL SUPPLY, INC. (US) 2014-10-30 US claimed
WO-2014176537-A1 METHOD AND COMPOSITION FOR PREVENTING OXIDATION MIDWEST INDUSTRIAL SUPPLY, INC. (US) 2014-10-30 WO claimed
CN-111615528-A Dendrimer delivery systems and methods of use thereof 约翰霍普金斯大学 2020-09-01 CN disclosed
US-20150252402-A1 Chemoenzymatic Synthesis of Trehalose Analogs CENTRAL MICHIGAN UNIVERSITY 2015-09-10 US disclosed
WO-2014176537-A1 METHOD AND COMPOSITION FOR PREVENTING OXIDATION MIDWEST INDUSTRIAL SUPPLY, INC. (US) 2014-10-30 WO disclosed
EP-2149816-B1 METHOD OF MANUFACTURING AN ELECTROCHROMIC DISPLAY ELEMENT KONICA MINOLTA HOLDINGS INC (JP) 2014-05-07 EP disclosed
EP-2149816-A1 METHOD FOR PRODUCTION OF DISPLAY ELEMENT Konica Minolta Holdings, Inc. (JP) 2010-02-03 EP disclosed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0668792-A1 PRE-TREATMENT OF NATURAL GAS TO BE CONDENSED TO LIQUEFIED NATURAL GAS (LNG) NORSK HYDRO A/S (NO) 1995-08-30 EP disclosed
WO-1994011090-A1 PRE-TREATMENT OF NATURAL GAS TO BE CONDENSED TO LIQUEFIED NATURAL GAS (LNG) NORSK HYDRO A.S (NO) 1994-05-26 WO disclosed
US-4045516-A Solid curable polyene compositions containing a polythiol W. R. GRACE & CO. (US) 1977-08-30 US disclosed
US-4018940-A Process for forming solder resistant photoresist coatings W. R. GRACE & CO. (US) 1977-04-19 US disclosed
US-4017371-A Solid radiation curable polyene compositions containing liquid polythiols and solid styrene-allyl copolymer based polyenes W. R. GRACE & CO. (US) 1977-04-12 US disclosed
US-4006270-A Solid curable polyene compositions and method of coating therewith W. R. GRACE & CO. (US) 1977-02-01 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-20150252402-A1 Chemoenzymatic Synthesis of Trehalose Analogs TREH, TALDO1, TKT THRB 1214/4885TSHR 1887/4885MAPK1 2592/4885

“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.