SCHEMBL4615138

SCHEMBL4615138

O=C(CSSCC(=O)NCCCO)NCCCO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CASP2 P42575 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9717465 0.79 MEN1 (0.48) HTTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15059988 0.77 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL10309103 0.77 HDAC6 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9717412 0.77 NAAA (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL3429965 0.77 — —
SCHEMBL620134 0.75 NAAA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL6433502 0.75 — —
SCHEMBL6940499 0.75 NAAA (0.54) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL9717404 0.75 TSHR (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NAAA
SCHEMBL12834799 0.75 NAAA (0.65) MEN1KMT2AALDH1A1SMN1; SMN2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008081348-A2 METHOD AND COMPOSITION FOR PERMANENTLY SHAPING HAIR THE PROCTER & GAMBLE COMPANY (US) 2008-07-10 — — WO claimed
US-20080075682-A1 Method and composition for permanently shaping hair THE PROCTER & GAMBLE COMPANY 2008-03-27 — — US claimed
US-20080075681-A1 Method and composition for permanently shaping hair PROCTER & GAMBLE COMPANY, THE 2008-03-27 — — US claimed
WO-2008012733-A2 METHOD AND COMPOSITION FOR PERMANENTLY SHAPING HAIR THE PROCTER & GAMBLE COMPANY (US) 2008-01-31 — — WO claimed
WO-2008012732-A2 METHOD AND COMPOSITION FOR PERMANENTLY SHAPING HAIR THE PROCTER & GAMBLE COMPANY (US) 2008-01-31 — — WO claimed
US-20080025937-A1 Method and composition for permanently shaping hair PROCTER & GAMBLE COMPANY, THE 2008-01-31 — — US claimed
US-20080025938-A1 Method and composition for permanently shaping hair PROCTER & GAMBLE COMPANY, THE 2008-01-31 — — US claimed
US-20080025939-A1 Method and composition for permanently shaping hair PROCTER & GAMBLE COMPANY, THE 2008-01-31 — — US claimed
WO-2008012730-A2 METHOD AND COMPOSITION FOR PERMANENTLY SHAPING HAIR THE PROCTER & GAMBLE COMPANY (US) 2008-01-31 — — WO claimed
EP-1880710-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP claimed
EP-1880709-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP claimed
EP-1880706-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP claimed
EP-1880707-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP claimed
EP-1880708-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP claimed
US-20230329991-A1 PERMANENT HAIR SHAPING COMPOSITION WELLA GERMANY GMBH (DE) 2023-10-19 — — US disclosed
US-11779530-B2 Composition for the permanent deformation of hair having reduced odor WELLA OPERATIONS US, LLC (US) 2023-10-10 — — US disclosed
EP-4216912-A1 PERMANENT HAIR SHAPING COMPOSITION Wella Germany GmbH (DE) 2023-08-02 — — EP disclosed
EP-1880709-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP disclosed
EP-1880706-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP disclosed
EP-1880708-A1 Method and composition for permanently shaping hair Wella Aktiengesellschaft (DE) 2008-01-23 — — EP 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 (6 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-20080025937-A1 Method and composition for permanently shaping hair DNMT3A, DNMT1, NACA HTT 747/4885MEN1 3081/4885KMT2A 439/4885
US-20080025938-A1 Method and composition for permanently shaping hair KRT18, HHAT, AADAT HTT 636/4885MEN1 4282/4885KMT2A 183/4885
US-11779530-B2 Composition for the permanent deformation of hair having reduced odor OR51E2, MAL2, OR10J3 HTT 2120/4885MEN1 2717/4885KMT2A 2931/4885
US-20080075682-A1 Method and composition for permanently shaping hair DNMT1, DNMT3A, KRT18 HTT 879/4885MEN1 3225/4885KMT2A 95/4885
US-20080075681-A1 Method and composition for permanently shaping hair AQP3, SLC3A2, SLC27A2 HTT 989/4885MEN1 3001/4885KMT2A 351/4885
US-20080025939-A1 Method and composition for permanently shaping hair DNMT3A, DNMT1, TET2 HTT 1283/4885MEN1 2797/4885KMT2A 314/4885

“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.

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