SCHEMBL7181696

SCHEMBL7181696

CCOCCOc1ccc(PC(=O)c2c(C)cc(C)cc2C)cc1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 1/20 0.41
FFAR1 O14842 3/20 0.40
ACACB O00763 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 1/20 0.36
EPHX2 P34913 1/20 0.35
RARB P10826 1/20 0.35
NCF1 P14598 1/20 0.35
TSPO P30536 1/20 0.35
MMP3 P08254 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35

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
SCHEMBL7180396 0.89 THRA (0.39) THRAFFAR1ACACBL3MBTL1TDP1
SCHEMBL7185514 0.89 FFAR1 (0.43) THRAFFAR1ACACBL3MBTL1TDP1
SCHEMBL7175082 0.88 ITGB1 (0.51) ITGB1ITGA4
SCHEMBL7181825 0.88 ITGB1 (0.46) ITGB1ITGA4L3MBTL1KMT2A
SCHEMBL7186887 0.88 ALDH1A1 (0.41) ITGB1ITGA4TDP1MEN1KMT2A
SCHEMBL7187868 0.88 THRA (0.40) THRAFFAR1ACACBL3MBTL1TDP1
SCHEMBL7186832 0.87 ITGB1 (0.42) ITGB1ITGA4ACACBL3MBTL1TDP1
SCHEMBL7179647 0.86 ITGB1 (0.55) THRAITGB1ITGA4RARB
SCHEMBL7181700 0.85 FFAR1 (0.39) THRAITGB1ITGA4FFAR1ACACB
SCHEMBL7179956 0.85 ITGB1 (0.54) THRAITGB1ITGA4RARB

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 THRA 1901/4885ITGB1 2786/4885ITGA4 3521/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 THRA 2159/4885ITGB1 3321/4885ITGA4 3643/4885

“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.