SCHEMBL7180656

SCHEMBL7180656

CC(C)CCOC(=O)C(C(=O)c1c(Cl)cccc1Cl)c1ccccc1.O=[PH3]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 1/20 0.39
GPR139 Q6DWJ6 2/20 0.38
MMP8 P22894 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7184421 0.93 SLC22A1 (0.39) SLC22A1NPC1RAB9APPARGGPR139
SCHEMBL7181903 0.91 KCNA3 (0.38) SLC22A1NPC1RAB9APPARGHTT
SCHEMBL27499050 0.88 SLC22A1 (0.39) SLC22A1NPC1RAB9APPARGGPR139
SCHEMBL7181898 0.87 ALDH1A1 (0.42) NPC1RAB9AGPR139MMP8ALDH1A1
SCHEMBL7182877 0.87 ALDH1A1 (0.44) NPC1RAB9AGPR139MMP8HTT
SCHEMBL27499054 0.86 ALDH1A1 (0.39) SLC22A1HTTKDM4EALDH1A1HSD17B10
SCHEMBL7188152 0.86 SLC22A1 (0.43) SLC22A1PPARGMMP8HTTKDM4E
SCHEMBL7175573 0.85 TSHR (0.44) NPC1RAB9AMMP8ALDH1A1HSD17B10
SCHEMBL7175563 0.84 MMP8 (0.54) NPC1RAB9AMMP8KDM4EALDH1A1
SCHEMBL7180608 0.84 TSHR (0.46) NPC1RAB9AKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579663-B2 Chemical intermediates such as lithium 2,6-dimethylbenzoyl phenylphosphine for preparation of acylphosphines, acylphosphine oxides or acylphosphine sulfides CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
US-20020107413-A1 Organometallic monoacylarylphosphines WOLF JEAN-PIERRE (CH) 2002-08-08 US disclosed
US-6399805-B2 SUCH AS LITHIUM 2,6-DIMETHYLBENZOYLPHENYLPHOSPHINE, USE AS PHOTOINITIATORS IN PHOTOCURABLE COMPOSITIONS SUCH AS FOR PHOTOGRAPHIC PRODUCTION OF RELIEF IMAGES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 US disclosed
US-20010031898-A1 Organometallic monoacylarylphosphines CIBA SPECIALTY CHEMICALS CORP. 2001-10-18 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 (2 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-20020107413-A1 Organometallic monoacylarylphosphines CBR1, NAF1, DHCR24 SLC22A1 2713/4885NPC1 772/4885RAB9A 1818/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 SLC22A1 3188/4885NPC1 872/4885RAB9A 2155/4885

“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.