SCHEMBL7188899

SCHEMBL7188899

CC(C)COc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCC(C)C)c1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
FOS P01100 2/20 0.39
JUN P05412 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
XDH P47989 2/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
BRS3 P32247 1/20 0.34
HTR2A P28223 1/20 0.34
HPGD P15428 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34

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
Lithium SCHEMBL7188909 0.98 PDK2 (0.40) PDK2FOSJUNMRGPRX4XDH
SCHEMBL7182639 0.89 PDK2 (0.40) PDK2FOSJUNXDHHSD17B1
SCHEMBL7186999 0.87 PDK2 (0.42) PDK2MRGPRX4NR1H4PPARGPPARA
SCHEMBL7180750 0.87 FOS (0.38) PDK2FOSJUNMRGPRX4XDH
SCHEMBL7184698 0.85 KDM4E (0.42) PDK2MRGPRX4MAOBMAOAHPGD
SCHEMBL7199983 0.84 ALDH1A1 (0.36) MRGPRX4PPARGPPARA
SCHEMBL7188508 0.84 FOS (0.41) PDK2FOSJUNXDHNR1H4
SCHEMBL7182327 0.84 FOS (0.41) PDK2FOSJUNXDHNR1H4
SCHEMBL7182872 0.83 THRA (0.41) PDK2MRGPRX4PPARGPPARA
SCHEMBL7177770 0.83 KMT2A (0.40) PDK2MRGPRX4MAOBMAOAPPARG

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 PDK2 3391/4885FOS 2702/4885JUN 4136/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 PDK2 3516/4885FOS 2549/4885JUN 3781/4885

“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.