SCHEMBL7186832

SCHEMBL7186832

COCCOc1ccc(PC(=O)c2c(C)cc(C)cc2C)cc1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.42
ITGA4 P13612 1/20 0.42
MAPT P10636 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA5 P08648 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ACACB O00763 1/20 0.37
CRHR1 P34998 1/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
TSPO P30536 1/20 0.35
CHEK2 O96017 1/20 0.35
CHEK1 O14757 1/20 0.35
MAPK14 Q16539 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
SCHEMBL7177180 0.89 CACNA1H (0.39) MAPTL3MBTL1ACACBNPC1TDP1
SCHEMBL7175082 0.88 ITGB1 (0.51) ITGB1ITGA4KDM4E
SCHEMBL7181825 0.88 ITGB1 (0.46) ITGB1ITGA4MAPTL3MBTL1NPC1
SCHEMBL7188657 0.88 L3MBTL1 (0.42) ITGB1MAPTITGB3ITGAVITGA5
SCHEMBL7181696 0.87 THRA (0.41) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL7189150 0.87 MAPT (0.36) ITGB1ITGA4MAPTITGB3ITGAV
SCHEMBL7179647 0.86 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7186887 0.85 ALDH1A1 (0.41) ITGB1ITGA4MAPTNPC1TDP1
SCHEMBL7177192 0.85 TDP1 (0.39) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL7179956 0.85 ITGB1 (0.54) ITGB1ITGA4

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 ITGB1 2786/4885ITGA4 3521/4885MAPT 4870/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ITGB1 3321/4885ITGA4 3643/4885MAPT 4859/4885

“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.