SCHEMBL112288

SCHEMBL112288

N#Cc1cccc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.49
ESR1 P03372 12/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ESRRB O95718 1/20 0.41
ESRRA P11474 1/20 0.41
TLR8 Q9NR97 1/20 0.41
MIF P14174 1/20 0.40
CA9 Q16790 1/20 0.40

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
Formic Acid SCHEMBL30464846 0.93 ESR2 (0.44) ESR2ESR1HTTCYP1A2CA1
SCHEMBL28805268 0.86 ESR2 (0.51) ESR2ESR1HTTCYP1A2CA1
SCHEMBL30345060 0.85 ESR2 (0.57) ESR2ESR1HTTCYP1A2CA1
SCHEMBL112028 0.85 ESR2 (0.57) ESR2ESR1HTTCYP1A2CA1
SCHEMBL5655546 0.81 CYP1A2 (0.43) ESR2ESR1CYP1A2CA2HSD17B1
SCHEMBL7038981 0.81 CYP1A2 (0.43) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL30365640 0.81 CYP1A2 (0.43) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL18322219 0.79 HTT (0.53) ESR2ESR1HTTCA1CA2
SCHEMBL8913792 0.78 ESR2 (0.59) ESR2ESR1CA1CA2
SCHEMBL31588569 0.78 ESR2 (0.59) ESR2ESR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729630-B2 Shaping keratin fibres using an active agent comprising at least two functional groups selected from: —C(OH)- and —C(=O)OH THE PROCTER & GAMBLE COMPANY (US) 2020-08-04 US claimed
CN-105828786-B Shaping keratin fibres using AN AN active agent comprising a functional group selected from-C (═ O) -, -C (═ O) -H and-C (═ O) -O-) 宝洁公司 2020-07-07 CN claimed
EP-3082494-B1 METHOD FOR SHAPING FIBROUS MATERIAL PROCTER & GAMBLE (US) 2018-12-05 EP claimed
EP-3082746-B1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE PROCTER & GAMBLE (US) 2018-11-28 EP claimed
EP-3082736-B1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID PROCTER & GAMBLE (US) 2018-08-08 EP claimed
EP-3082747-B1 SHAPING KERATIN FIBRES USING A SUGAR PROCTER & GAMBLE (US) 2018-07-04 EP claimed
EP-3082731-B1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH PROCTER & GAMBLE (US) 2018-07-04 EP claimed
EP-3082735-B1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF PROCTER & GAMBLE (US) 2018-05-02 EP claimed
US-9918921-B2 Methods for shaping fibrous material and treatment compositions therefor THE PROCTER & GAMBLE COMPANY (US) 2018-03-20 US claimed
US-9877559-B2 Methods for shaping fibrous material and treatment compositions therefor THE PROCTER & GAMBLE COMANY (US) 2018-01-30 US claimed
WO-2015094756-A1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094789-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094757-A1 SHAPING KERATIN FIBRES USING A SUGAR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015095685-A1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094784-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094758-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING A FUNCTIONAL GROUP SELECTED FROM THE GROUP CONSISTING OF: -C(=O)-, -C(=O)-H, AND -C(=O)-O- THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
WO-2015094787-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR THE PROCTER & GAMBLE COMPANY (US) 2015-06-25 WO claimed
US-20150174029-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
WO-2015094790-A1 METHODS FOR SHAPING FIBROUS MATERIAL AND TREATMENT COMPOSITIONS THEREFOR 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150174029-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH KRT18, CKAP4, JUP ESR2 1798/4885ESR1 1956/4885HTT 3825/4885
US-10729630-B2 Shaping keratin fibres using an active agent comprising at least two functional groups selected from: —C(OH)- and —C(=O)OH KRT18, CKAP4, JUP ESR2 1568/4885ESR1 1922/4885HTT 3893/4885

“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.