SCHEMBL7189874

SCHEMBL7189874

CC(C)CCOc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.43
PDK2 Q15119 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7182426 0.88 PDK2 (0.39) PDK2NR1H4MAOAMAOBALDH1A1
SCHEMBL7179835 0.87 FAAH (0.44) FFAR4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7181323 0.87 LMNA (0.41) MAPK1PDK2FFAR4CYP1A2CYP3A4
SCHEMBL7188513 0.86 FFAR4 (0.39) GAAFFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL7175118 0.85 NR5A1 (0.43) FFAR4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7188429 0.84 KMT2A (0.49) TP53SMN1; SMN2MAOAMAOBTSHR
SCHEMBL7186263 0.84 NR5A1 (0.46) TP53THRBTSHRRARB
SCHEMBL7181443 0.84 KMT2A (0.40) MAPK1FFAR4CYP1A2CYP3A4CYP2C9
SCHEMBL7186999 0.84 PDK2 (0.42) MAPK1EPHX2PDK2NR1H4HTT
SCHEMBL7189209 0.84 PDK2 (0.42) MAPK1EPHX2PDK2NR1H4CYP1A2

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 MAPK1 1801/4885EPHX2 2476/4885PDK2 3391/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 MAPK1 2710/4885EPHX2 2048/4885PDK2 3516/4885

“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.