SCHEMBL7179784

SCHEMBL7179784

CCCCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OCCCCC)c1.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
PLA2G4B P0C869 1/20 0.36
ESR1 P03372 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
SCHEMBL7182184 0.99 THRA (0.40) ITGB1ITGA4THRATHRBTP53
SCHEMBL7183681 0.98 PPARG (0.39) ITGB1ITGA4THRATHRBPPARG
Lithium SCHEMBL7183689 0.96 PPARG (0.37) ITGB1ITGA4THRATHRBPPARG
SCHEMBL7188997 0.93 MAPT (0.38) THRBPPARGPPARDPPARA
Lithium SCHEMBL7189003 0.91 MAPT (0.38) THRBPPARGPPARDPPARA
SCHEMBL7177466 0.91 THRB (0.42) ITGB1ITGA4THRATHRBTP53
SCHEMBL7188725 0.90 THRB (0.44) ITGB1ITGA4THRATHRBTP53
SCHEMBL7177461 0.90 ITGB1 (0.48) ITGB1ITGA4THRATHRBTP53
SCHEMBL7180599 0.89 ITGB1 (0.47) ITGB1ITGA4THRATHRBTP53
SCHEMBL28012984 0.89 ITGB1 (0.49) ITGB1ITGA4THRATHRBTP53

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

“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.