SCHEMBL9504659

SCHEMBL9504659

O=C(O)C(O)OC(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
OR51E2 Q9H255 1/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
DUSP3 P51452 1/20 0.33

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
SCHEMBL17813056 0.81
SCHEMBL15188666 0.81 SMN1; SMN2 (0.39) TSHRTP53ALDH1A1LMNAKMT2A
SCHEMBL8367939 0.77 TSHR (0.44) TSHRTP53ALDH1A1LMNATHRB
SCHEMBL21978534 0.76 TSHR (0.32) TSHRTP53
SCHEMBL722795 0.74 OR51E2 (0.42) TSHRLMNAOR51E2CYP2C9
SCHEMBL19821760 0.74
SCHEMBL16745705 0.73 TP53 (0.39) TP53
SCHEMBL15690557 0.72
SCHEMBL10353512 0.72 TSHR (0.39) TSHRTP53ALDH1A1LMNATHRB
SCHEMBL1299349 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082735-B1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF PROCTER & GAMBLE (US) 2018-05-02 EP claimed
EP-3082735-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF The Procter & Gamble Company (US) 2016-10-26 EP claimed
EP-3082750-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION The Procter & Gamble Company (US) 2016-10-26 EP claimed
WO-2015094838-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015095671-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
US-20150174023-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174030-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-11129784-B2 Shaping keratin fibres using oxoethanoic acid and/or derivatives thereof THE PROCTER AND GAMBLE COMPANY (US) 2021-09-28 US disclosed
US-11129784-B2 Shaping keratin fibres using oxoethanoic acid and/or derivatives thereof THE PROCTER AND GAMBLE COMPANY (US) 2021-09-28 US disclosed
US-10945931-B2 Shaping keratin fibres using dialdehyde compounds THE PROCTER AND GAMBLE COMPANY (US) 2021-03-16 US disclosed
US-10912726-B2 Shaping keratin fibres using a reducing composition and a fixing composition THE PROCTER AND GAMBLE COMPANY (US) 2021-02-09 US disclosed
US-10568826-B2 Shaping keratin fibres using a pretreatment and a protein crosslinking composition THE PROCTER AND GAMBLE COMPANY (US) 2020-02-25 US disclosed
US-10449136-B2 Hair shaping composition CONOPCO, INC. (US) 2019-10-22 US disclosed
WO-2015094838-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO disclosed
WO-2015095671-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO disclosed
WO-2015095671-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO disclosed
EP-0408644-B1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1993-07-28 EP disclosed
EP-0408644-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND. EASTMAN KODAK CO (US) 1991-01-23 EP disclosed
WO-1989009761-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1989-10-19 WO disclosed
US-4791224-A Process for preparation of an oxyacetic acid/hydroxyethyl ether compound EASTMAN KODAK COMPANY (US) 1988-12-13 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 (7 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-10449136-B2 Hair shaping composition DPM1, GLA, CYP24A1 TSHR 4632/4885TP53 1648/4885ALDH1A1 807/4885
US-20150174023-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION KRT18, SMCHD1, KDM7A TSHR 4575/4885TP53 3330/4885ALDH1A1 2682/4885
US-10568826-B2 Shaping keratin fibres using a pretreatment and a protein crosslinking composition KRT18, COL14A1, COL2A1 TSHR 4537/4885TP53 2144/4885ALDH1A1 3266/4885
US-11129784-B2 Shaping keratin fibres using oxoethanoic acid and/or derivatives thereof KRT18, KDM7A, FTO TSHR 4173/4885TP53 2610/4885ALDH1A1 707/4885
US-10912726-B2 Shaping keratin fibres using a reducing composition and a fixing composition KRT18, SMCHD1, KDM7A TSHR 4575/4885TP53 3330/4885ALDH1A1 2682/4885
US-10945931-B2 Shaping keratin fibres using dialdehyde compounds KRT18, DSP, COL14A1 TSHR 4396/4885TP53 1530/4885ALDH1A1 406/4885
US-20150174030-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF KRT18, KDM7A, FTO TSHR 4173/4885TP53 2610/4885ALDH1A1 707/4885

“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.