SCHEMBL7188431

SCHEMBL7188431

Cc1cc(C)c(C(=O)Pc2c(OCC(C)C)cc(OCC(C)C)cc2OCC(C)C)c(C)c1.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
FOS P01100 2/20 0.36
JUN P05412 2/20 0.36
XDH P47989 1/20 0.33
ALDH1A1 P00352 5/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.31
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
PTGER1 P34995 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
PDE4B Q07343 1/20 0.31
ACACB O00763 3/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7176059 0.89 FOS (0.34) KEAP1NFE2L2FOSJUNXDH
SCHEMBL7179778 0.89 FOS (0.40) KEAP1NFE2L2FOSJUNXDH
SCHEMBL7184946 0.89 FOS (0.35) KEAP1NFE2L2FOSJUNXDH
SCHEMBL7190109 0.85 MAPK1 (0.38) ALDH1A1HTTITGB1ITGA4SMN1; SMN2
SCHEMBL7182437 0.84 FOS (0.38) KEAP1NFE2L2FOSJUNXDH
SCHEMBL7180526 0.83 KDM4E (0.38) ALDH1A1ITGB1ITGA4HPGDSMN1; SMN2
SCHEMBL7185228 0.82 USP2 (0.38) FOSJUNXDHSMN1; SMN2
SCHEMBL7175746 0.82 ALDH1A1 (0.36) ALDH1A1HTTITGB1ITGA4
Lithium SCHEMBL7182446 0.81 KEAP1 (0.36) KEAP1NFE2L2FOSJUNXDH
SCHEMBL7189068 0.81 PTGER1 (0.38) KEAP1NFE2L2FOSJUNXDH

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 KEAP1 2886/4885NFE2L2 2548/4885FOS 2702/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 KEAP1 2402/4885NFE2L2 2417/4885FOS 2549/4885

“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.