SCHEMBL7181553

SCHEMBL7181553

CCCCCCOc1ccc(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)cc1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 4/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
RARB P10826 3/20 0.42
LTA4H P09960 1/20 0.41
PLA2G4A P47712 1/20 0.41

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
SCHEMBL7188520 0.99 ITGB1 (0.44) NR5A1TP53TSHRPLA2G4BITGB1
SCHEMBL7180410 0.96 ITGB1 (0.41) NR5A1TP53TSHRPLA2G4BITGB1
SCHEMBL7177602 0.92 L3MBTL1 (0.41) ITGB1ITGA4THRBLTA4H
SCHEMBL7179956 0.89 ITGB1 (0.54) NR5A1TP53TSHRPLA2G4BITGB1
SCHEMBL7179647 0.88 ITGB1 (0.55) NR5A1TP53TSHRPLA2G4BITGB1
SCHEMBL7175718 0.87 EPHX2 (0.45) LTA4H
SCHEMBL7188725 0.86 THRB (0.44) TP53TSHRPLA2G4BITGB1ITGA4
SCHEMBL7180396 0.86 THRA (0.39) THRATHRB
SCHEMBL7177180 0.86 CACNA1H (0.39)
SCHEMBL7182620 0.85 NR5A1 (0.50) NR5A1TP53TSHRPLA2G4BRARB

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 NR5A1 49/4885TP53 3575/4885TSHR 984/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 NR5A1 133/4885TP53 3524/4885TSHR 1273/4885

“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.