SCHEMBL7189017

SCHEMBL7189017

CCC(C)Oc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(C)c1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ACACB O00763 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TSPO P30536 2/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7179676 0.90 ACACB (0.34) SMN1; SMN2ACACBTDP1ITGB1ITGA4
SCHEMBL7175702 0.90 SMN1; SMN2 (0.38) SMN1; SMN2ACACBTDP1HDAC1HDAC2
SCHEMBL7179936 0.89 SMN1; SMN2 (0.36) SMN1; SMN2ACACBTDP1HDAC1HDAC2
Lithium SCHEMBL7179682 0.88 ACACB (0.34) SMN1; SMN2ACACBTDP1ITGB1ITGA4
SCHEMBL7181198 0.88 SMN1; SMN2 (0.36) SMN1; SMN2ACACBTDP1HDAC1HDAC2
SCHEMBL7182015 0.87 FFAR4 (0.41) ACACBTDP1TSPOHPGDMAPT
SCHEMBL7182650 0.86 ACACB (0.39) SMN1; SMN2ACACBITGB1ITGA4HDAC1
SCHEMBL7180691 0.85 SMN1; SMN2 (0.36) SMN1; SMN2ACACBTDP1MAPTMEN1
SCHEMBL7180827 0.83 KMT2A (0.40) SMN1; SMN2ACACBHDAC1HDAC2HDAC8
SCHEMBL7180661 0.83 HDAC1 (0.37) SMN1; SMN2ACACBTDP1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
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
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN 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 SMN1; SMN2 2939/4885ACACB 914/4885TDP1 4234/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 SMN1; SMN2 3105/4885ACACB 555/4885TDP1 4275/4885

“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.