SCHEMBL113907

SCHEMBL113907

Oc1c(I)ccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
KDM4E B2RXH2 4/20 0.58
TP53 P04637 3/20 0.58
HSP90AA1 P07900 3/20 0.58
ALOX15 P16050 3/20 0.58
HTT P42858 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HIF1A Q16665 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
MMP2 P08253 3/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
GMNN O75496 1/20 0.58
CYP2D6 P10635 1/20 0.58
MMP9 P14780 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58
CCR1 P32246 1/20 0.58
THPO P40225 1/20 0.58

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
Sulfuric Acid SCHEMBL27736209 0.91 KDM4E (0.60) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL4063648 0.79 MMP2 (0.63) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL9100731 0.77 KDM4E (0.51) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL20480582 0.76 MMP2 (0.59) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL114706 0.76 KDM4E (0.58) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL623096 0.76 LMNA (0.63) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL115436 0.76 KDM4E (0.59) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL10087891 0.76 HSP90AA1 (0.58) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL18848445 0.76 KDM4E (0.58) LMNAKDM4ETP53HSP90AA1ALOX15
SCHEMBL112625 0.76 MMP2 (0.58) LMNAKDM4ETP53HSP90AA1ALOX15

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 183 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
US-20150174032-A1 SHAPING KERATIN FIBRES USING CARBONATE ESTER THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174028-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 2015-06-25 US 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-20150174432-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174027-A1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174035-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174031-A1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174793-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor 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
WO-1994024070-A1 IMPROVEMENTS RELATING TO SOLUBLE POWDER PRESCRIPTION FERTILISER COMPOSITIONS INCORPORATING SPECIAL SOIL TEST SYSTEMS TECHNICAL PATENTS LIMITED (NZ) 1994-10-27 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 (8 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-20150174028-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- KRT18, PRKCH, CKAP4 LMNA 415/4885KDM4E 265/4885TP53 1982/4885
US-20150174023-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION KRT18, SMCHD1, KDM7A LMNA 743/4885KDM4E 31/4885TP53 3330/4885
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 LMNA 774/4885KDM4E 181/4885TP53 1784/4885
US-20150174027-A1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE KRT18, MARK2, MARK4 LMNA 620/4885KDM4E 27/4885TP53 1831/4885
US-20150174031-A1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID KRT18, HKDC1, COL2A1 LMNA 1034/4885KDM4E 249/4885TP53 1772/4885
US-20150174432-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor WASF2, MFAP1, WEE1 LMNA 197/4885KDM4E 2830/4885TP53 1226/4885
US-20150174030-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF KRT18, KDM7A, FTO LMNA 1708/4885KDM4E 64/4885TP53 2610/4885
US-20150174032-A1 SHAPING KERATIN FIBRES USING CARBONATE ESTER KRT18, CKAP4, COL14A1 LMNA 313/4885KDM4E 46/4885TP53 2537/4885

“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.