SCHEMBL5995436

SCHEMBL5995436

CCCCC(C(=O)OCc1ccccc1)C(=O)c1c(C)cc(C)cc1C.O=[PH3]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CETP P11597 3/20 0.37
▸ LNPEP Q9UIQ6 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL5995189 0.85 MEN1 (0.43) TDP1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL5996648 0.83 CTSB (0.48) ALDH1A1CTSLCTSSTACR1NPC1
SCHEMBL5996441 0.83 MEN1 (0.39) TDP1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL5994869 0.83 MEN1 (0.42) TDP1ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL5995413 0.82 ESR1 (0.41) TDP1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL5995849 0.81 PPARA (0.43) TDP1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL5997949 0.81 CA1 (0.41) TDP1CYP3A4ITGB1ITGA4
SCHEMBL19105272 0.81 ALDH1A1 (0.55) TDP1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL5997598 0.81 MEN1 (0.35) TDP1ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL5998039 0.81 ESR1 (0.43) ALDH1A1TSHRCNR2ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026017-B2 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-04-11 — — US disclosed
US-6969733-B2 Photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-29 — — US disclosed
US-6737549-B2 PHOTOINITIATORS FOR ACRYLATE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2004-05-18 — — US disclosed
US-20030139485-A1 Photoinitiators WOLF JEAN-PIERRE (CH) 2003-07-24 — — US disclosed
US-20030130370-A1 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation WOLF JEAN-PIERRE (CH) 2003-07-10 — — US disclosed
US-20020026049-A1 Photoinitiators for acrylate coatings CIBA SPECIALTY CHEMICALS CORP. 2002-02-28 — — 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 (3 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-20030139485-A1 Photoinitiators DHCR24, NR1I3, CBR1 TDP1 4368/4885ALDH1A1 974/4885MAPK1 1788/4885
US-20030130370-A1 Photoinitiators for acrylic esters; reacting an acyl halide with a metal benzoyl phosphine; cable coatings, screen printing stencils, resist materials, colour filters, electrical encapsulation SMARCC1, ARPC5L, DHCR24 TDP1 4835/4885ALDH1A1 1088/4885MAPK1 444/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TDP1 4201/4885ALDH1A1 835/4885MAPK1 1524/4885

“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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