SCHEMBL873338

SCHEMBL873338

CC(O)C(C)O.CCCCOCCCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CES2 O00748 1/20 0.38
HPGD P15428 1/20 0.38
LPAR5 Q9H1C0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL27612693 0.92 TSHR (0.62) TSHRHTTMAPTMEN1THRB
Isopropyl Alcohol SCHEMBL8218567 0.92 TSHR (0.62) TSHRHTTMAPTMEN1THRB
SCHEMBL27618582 0.85 TSHR (0.50) TSHRHTTMAPTMEN1THRB
Isopropyl Alcohol SCHEMBL28071707 0.84 TSHR (0.54) TSHRHTTMAPTMEN1THRB
Propylene Glycol SCHEMBL4954281 0.84 TSHR (0.61) TSHRHTTMAPTMEN1THRB
Propylene Glycol SCHEMBL55673 0.84 TSHR (0.61) TSHRHTTMAPTMEN1THRB
SCHEMBL28011519 0.83 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL27974654 0.83 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL1283991 0.83 TSHR (0.59) TSHRHTTMAPTMEN1THRB
SCHEMBL27999594 0.83 TSHR (0.59) TSHRHTTMAPTMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
CN-104016859-A 2, 3-butanediol monoether acetate and preparation method thereof SHANDONG LECRON ENERGY SAVING NEW MATERIAL CO LTD 2014-09-03 CN disclosed
CN-103965025-A 2,3-butanediol monoether and preparation method thereof SHANDONG LECRON ENERGY SAVING NEW MATERIAL CO LTD 2014-08-06 CN disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP disclosed
EP-2618856-A1 DEODORANT COMPOSITION FOR SULFIDES Takasago International Corporation (JP) 2013-07-31 EP disclosed
US-20130136713-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-30 US disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 TSHR 1995/4885HTT 3750/4885MAPT 4300/4885

“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.