SCHEMBL5997146

SCHEMBL5997146

COc1c(C)cc(C)c(OC)c1C(=O)C(C)P

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TDP1 Q9NUW8 1/20 0.33
KCNB1 Q14721 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL5995321 0.80 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1HPGDKDM4E
SCHEMBL27595756 0.77 ALDH1A1 (0.36) ALDH1A1TAS1R3TAS1R1KCNB1TUBB4A
SCHEMBL5996574 0.76 KDM4E (0.35) KDM4E
SCHEMBL5997853 0.75 TSHR (0.46) ALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5995429 0.75 ALDH1A1 (0.36) ALDH1A1TAS1R3TAS1R1KCNB1TUBB4A
SCHEMBL5997305 0.74 SMN1; SMN2 (0.42) ALDH1A1CYP3A4MAPK1
SCHEMBL27489432 0.74 ALDH1A1 (0.36) ALDH1A1TAS1R3TAS1R1KCNB1TUBB4A
SCHEMBL5994295 0.74 POLB (0.46) ALDH1A1TAS1R3TAS1R1HPGDKDM4E
SCHEMBL5993511 0.73 HPGD (0.34) CYP3A4HPGDKDM4E
SCHEMBL5996271 0.73 TDP1 (0.42) ALDH1A1TDP1TUBB1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109250-B2 Multimer forms of acylphosphines and their derivatives CIBA SPECIALTY CHEMICALS CORP. (US) 2006-09-19 US disclosed
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-20050004247-A1 Multimer forms of acylphosphines and their derivatives CIBA SPECIALTY CHEMICALS CORP. 2005-01-06 US disclosed
EP-1446410-A1 MULTIMER FORMS OF ACYLPHOSPHINES AND THEIR DERIVATIVES Ciba SC Holding AG (CH) 2004-08-18 EP 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
WO-2003044030-A1 MULTIMER FORMS OF ACYLPHOSPHINES AND THEIR DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO 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 ALDH1A1 974/4885TAS1R3 2305/4885TAS1R1 2690/4885
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 ALDH1A1 1088/4885TAS1R3 3748/4885TAS1R1 3587/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ALDH1A1 835/4885TAS1R3 737/4885TAS1R1 1091/4885

“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.