SCHEMBL5997368

SCHEMBL5997368

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KCNB1 Q14721 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CTSL P07711 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
SCHEMBL27556007 0.98 TAS1R3 (0.40) TAS1R3TAS1R1ALDH1A1KCNB1TUBB4A
SCHEMBL5997132 0.83 ALDH1A1 (0.44) TAS1R3TAS1R1ALDH1A1KCNB1TUBB4A
SCHEMBL5995582 0.82 ALDH1A1 (0.33) TAS1R3TAS1R1ALDH1A1KCNB1
SCHEMBL5996917 0.82 ALDH1A1 (0.41) TAS1R3TAS1R1ALDH1A1CYP2C19KDM4E
SCHEMBL28740697 0.81 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1KCNB1TUBB4A
SCHEMBL5997354 0.81 KDM4E (0.32) KDM4EMEN1MAPTKMT2ATHRB
SCHEMBL5997147 0.79 ACHE (0.41) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL5994814 0.78 MEN1 (0.31) KDM4EMEN1KMT2A
SCHEMBL5995537 0.78 ALDH1A1 (0.40) ALDH1A1KCNB1CYP2C19KDM4EMEN1
SCHEMBL5995424 0.78 ALDH1A1 (0.40) TAS1R3TAS1R1ALDH1A1KCNB1TUBB4A

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 TAS1R3 2305/4885TAS1R1 2690/4885ALDH1A1 974/4885
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 TAS1R3 3748/4885TAS1R1 3587/4885ALDH1A1 1088/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 TAS1R3 737/4885TAS1R1 1091/4885ALDH1A1 835/4885

“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.