SCHEMBL4989271

SCHEMBL4989271

CCCC(C)=C(C)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.45
CES2 O00748 6/20 0.45
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FFAR3 O14843 3/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CTSD P07339 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
THPO P40225 1/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL1783000 0.83 CES1 (0.56) CES1CES2TSHRALDH1A1TDP1
SCHEMBL1783003 0.83 CES1 (0.56) CES1CES2TSHRALDH1A1TDP1
SCHEMBL3841640 0.80 HDAC3 (0.48) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL3841638 0.80 HDAC3 (0.48) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL4276967 0.80 HDAC3 (0.48) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL16056498 0.78 CES1 (0.41) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL16056496 0.78 CES1 (0.41) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL1720977 0.78 CES1 (0.41) CES1CES2HDAC3HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL28079945 0.76 CES1 (0.39) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL8651597 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US claimed
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 claimed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP claimed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO claimed
CN-113348199-B Branched organosilicon compounds, methods of making branched organosilicon compounds, and copolymers formed therewith 美国陶氏有机硅公司 2023-02-17 CN disclosed
US-20180280281-A1 CRYSTALLINE HAIR-STYLING COMPOSITIONS L'OREAL (FR) 2018-10-04 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-20120171313-A1 Compositions and Methods for Applying and Manufacturing Biopesticides BOON TECHNOLOGIES, LLC. (US) 2012-07-05 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
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 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 (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 CES1 500/4885CES2 470/4885HDAC3 751/4885

“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.