SCHEMBL5997147

SCHEMBL5997147

COc1cc(C)cc(OC)c1C(=O)PCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.36
ERN1 O75460 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
CNR2 P34972 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 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
SCHEMBL27507491 0.98 ACHE (0.40) ACHEALDH1A1SMN1; SMN2CYP3A4ERN1
SCHEMBL5996093 0.87 CYP3A4 (0.46) SMN1; SMN2CYP3A4MAPK1
SCHEMBL27487734 0.86 CYP3A4 (0.45) SMN1; SMN2CYP3A4MAPK1
SCHEMBL5997982 0.83 ACHE (0.35) ACHEALDH1A1SMN1; SMN2CYP3A4ERN1
SCHEMBL5997297 0.81 ALDH1A1 (0.41) ACHEALDH1A1SMN1; SMN2CYP3A4ERN1
SCHEMBL27505109 0.81 CA12 (0.49) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27507510 0.80 ALDH1A1 (0.40) ACHEALDH1A1SMN1; SMN2CYP3A4ERN1
SCHEMBL5167522 0.80 HPGD (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL5997368 0.79 TAS1R3 (0.40) ALDH1A1CYP3A4KMT2AMEN1KDM4E
SCHEMBL5995264 0.77 HPGD (0.39) ALDH1A1SMN1; SMN2KDM4EMAPK1

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 11 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
CN-1589276-A Multimer of acylphosphines and their derivatives CIBA SC HOLDING AG (CH) 2005-03-02 CN 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 ACHE 4708/4885ALDH1A1 974/4885SMN1; SMN2 3940/4885
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 ACHE 4598/4885ALDH1A1 1088/4885SMN1; SMN2 1663/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 ACHE 4557/4885ALDH1A1 835/4885SMN1; SMN2 4099/4885

“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.