SCHEMBL873890

SCHEMBL873890

CC(O)C(C)O.CCCOCCC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.38
TSHR P16473 4/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SPHK1 Q9NYA1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
LPAR5 Q9H1C0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL28066444 0.90 HSD17B10 (0.65) HSD17B10TDP1USP2TSHRHTT
Isopropyl Alcohol SCHEMBL27971208 0.90 HSD17B10 (0.65) HSD17B10TDP1USP2TSHRHTT
Propylene Glycol SCHEMBL56047 0.82 HSD17B10 (0.64) HSD17B10TDP1USP2TSHRHTT
Propylene Glycol SCHEMBL10765776 0.82 HSD17B10 (0.64) HSD17B10TDP1USP2TSHRHTT
SCHEMBL873338 0.82 TSHR (0.59) HSD17B10TDP1USP2TSHRHTT
SCHEMBL18951848 0.82 HSD17B10 (0.50) HSD17B10TDP1USP2TSHRHTT
SCHEMBL27993840 0.81 HSD17B10 (0.55) HSD17B10TDP1USP2TSHRHTT
SCHEMBL1977422 0.81 HSD17B10 (0.55) HSD17B10TDP1USP2TSHRHTT
SCHEMBL5961592 0.80 HSD17B10 (0.85) HSD17B10TDP1USP2TSHRHTT
Propylene Glycol SCHEMBL10613711 0.80 HSD17B10 (0.61) HSD17B10TDP1USP2TSHRHTT

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 14 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
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 HSD17B10 951/4885TDP1 4784/4885USP2 1001/4885

“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.