SCHEMBL3746575

SCHEMBL3746575

CN1c2cc(Cl)ccc2SC1c1ccc(C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.40
▸ PTGER4 P35408 1/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GRIA1 P42261 1/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ GRIA3 P42263 1/20 0.31
▸ GRIA4 P48058 1/20 0.31
▸ ALDH1A3 P47895 1/20 0.31
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ ITGAL P20701 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ TTR P02766 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4625857 0.85 ALOX5 (0.41) HTR7ALOX5ALDH1A1ALDH1A3
SCHEMBL3731249 0.80 ALOX5 (0.35) HSD17B10ALOX5ALDH1A1HPGDCACNA1C
SCHEMBL30767224 0.70 GRIA1 (0.38) HTR7GRIA1GRIA2GRIA3GRIA4
SCHEMBL27034742 0.70 GRIA1 (0.38) HTR7GRIA1GRIA2GRIA3GRIA4
SCHEMBL3743379 0.69 DRD2 (0.39) ALDH1A1HPGD
SCHEMBL14292117 0.64 MEN1 (0.53) HTR7ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL27780815 0.64 MEN1 (0.35) HTR7ALDH1A1GRIA1GRIA2GRIA3
SCHEMBL28094908 0.63 GRIA1 (0.39) ALDH1A1HPGDGRIA1GRIA2GRIA3
SCHEMBL23018314 0.62 CYP2A6 (0.35) ITGB2ICAM1ITGALMEN1KMT2A
Ethane SCHEMBL2154693 0.62 HSD17B10 (0.89) HSD17B10PTGER4ALDH1A1ALDH1A3TYR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 — — EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 — — US claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 — — EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 — — EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 — — EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 — — EP claimed
EP-1200050-B1 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2004-09-22 — — EP claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US claimed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 — — US disclosed
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 — — US disclosed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 — — US disclosed
US-7225920-B2 Mixing device HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-05 — — US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US disclosed
US-20060002965-A1 Mixing device HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) 2006-01-05 — — US disclosed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — 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 (4 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 HSD17B10 453/4885PTGER4 1100/4885HTR7 1059/4885
US-20060002965-A1 Mixing device TNF, EXOSC5, BMP6 HSD17B10 2861/4885PTGER4 2607/4885HTR7 1429/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 HSD17B10 2392/4885PTGER4 3851/4885HTR7 2911/4885
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 HSD17B10 652/4885PTGER4 2362/4885HTR7 2666/4885

“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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