SCHEMBL113528

SCHEMBL113528

Oc1c(I)cc(F)c2cccnc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.72
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
TDP1 Q9NUW8 5/20 0.72
ALDH1A1 P00352 5/20 0.72
HSP90AA1 P07900 5/20 0.72
LMNA P02545 4/20 0.72
TP53 P04637 4/20 0.72
HTT P42858 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
USP2 O75604 3/20 0.72
ALOX15 P16050 3/20 0.72
SLC6A2 P23975 3/20 0.72
HPGD P15428 2/20 0.72
MAPK1 P28482 2/20 0.72
HIF1A Q16665 2/20 0.72
EGFR P00533 1/20 0.72
ERBB2 P04626 1/20 0.72
LCK P06239 1/20 0.72
FYN P06241 1/20 0.72

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
SCHEMBL17960015 0.86 KDM4E (0.72) KDM4EMEN1KMT2ATDP1ALDH1A1
Iodoquinol SCHEMBL3460 0.84 KDM4E (1.00) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL16207365 0.84 KDM4E (0.62) KDM4EMEN1KMT2ATDP1ALDH1A1
Iodoquinol SCHEMBL29606817 0.84 KDM4E (1.00) KDM4EMEN1KMT2ATDP1ALDH1A1
Iodoquinol SCHEMBL29367180 0.84 KDM4E (1.00) KDM4EMEN1KMT2ATDP1ALDH1A1
Iodoquinol SCHEMBL28519246 0.82 KDM4E (0.96) KDM4EMEN1KMT2ATDP1ALDH1A1
Iodoquinol SCHEMBL28536045 0.82 KDM4E (0.96) KDM4EMEN1KMT2ATDP1ALDH1A1
SCHEMBL29154096 0.82 KDM4E (0.77) KDM4EMEN1KMT2ATDP1ALDH1A1
Iodoquinol SCHEMBL28518289 0.82 KDM4E (0.96) KDM4EMEN1KMT2ATDP1ALDH1A1
Iodoquinol SCHEMBL2532141 0.82 KDM4E (0.96) KDM4EMEN1KMT2ATDP1ALDH1A1

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 155 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-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-3082747-B1 SHAPING KERATIN FIBRES USING A SUGAR 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-2015094757-A1 SHAPING KERATIN FIBRES USING A SUGAR 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-2015094759-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 (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
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-2015094788-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-2015094789-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 (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-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 KDM4E 181/4885MEN1 2788/4885KMT2A 254/4885

“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.