SCHEMBL7180750

SCHEMBL7180750

CC(C)COc1cc(OCC(C)C)c(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCC(C)C)c1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.38
JUN P05412 2/20 0.38
XDH P47989 1/20 0.37
PDK2 Q15119 1/20 0.37
SCN8A Q9UQD0 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SCN9A Q15858 4/20 0.33
NR1H4 Q96RI1 2/20 0.33
BRS3 P32247 1/20 0.33
HTR2A P28223 1/20 0.33
HPGD P15428 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL7188899 0.87 PDK2 (0.40) FOSJUNXDHPDK2HSD17B1
SCHEMBL7189117 0.87 PDK2 (0.39) PDK2SCN8ASCN10ANR1H4
SCHEMBL7180865 0.85 KCNK3 (0.43) MRGPRX4HPGD
Lithium SCHEMBL7188909 0.84 PDK2 (0.40) FOSJUNXDHPDK2SCN8A
SCHEMBL7732177 0.84 ALDH1A1 (0.38)
SCHEMBL7181868 0.83 FOS (0.40) FOSJUNNR1H4SIRT2
SCHEMBL7179778 0.83 FOS (0.40) FOSJUNXDHNR1H4HPGD
SCHEMBL7177721 0.83 KMT2A (0.39) PDK2MRGPRX4
SCHEMBL7182426 0.82 PDK2 (0.39) PDK2NR1H4HTR2AHPGD
SCHEMBL7189328 0.82 FOS (0.39) FOSJUNXDHSIRT2

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 FOS 2702/4885JUN 4136/4885XDH 4277/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 FOS 2549/4885JUN 3781/4885XDH 4546/4885

“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.