SCHEMBL7182741

SCHEMBL7182741

CCCCOc1cc(OCCCC)c(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCCCC)c1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
PPARG P37231 5/20 0.39
PPARA Q07869 4/20 0.39
PPARD Q03181 2/20 0.39
PTGES O14684 3/20 0.38
ALOX5 P09917 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
PDK2 Q15119 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CYP2C9 P11712 1/20 0.37
CACNA1B Q00975 2/20 0.37
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 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
SCHEMBL7182209 0.97 THRA (0.41) FAAHPTGDR2THRATHRBCYP2D6
SCHEMBL7181224 0.96 THRA (0.43) FAAHTHRATHRBCYP2D6PDK2
SCHEMBL7177721 0.94 KMT2A (0.39) FAAHPTGDR2THRATHRBPPARG
SCHEMBL7183985 0.89 L3MBTL1 (0.38) PTGDR2THRACYP2D6CYP1A2CYP3A4
SCHEMBL7177796 0.89 HTT (0.39) CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL7182872 0.88 THRA (0.41) FAAHPTGDR2THRATHRBPPARG
SCHEMBL7180865 0.87 KCNK3 (0.43) CYP1A2CYP2C19CYP2C9
SCHEMBL7189117 0.87 PDK2 (0.39) ALOX5CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL7181374 0.86 THRA (0.44) FAAHTHRATHRBPPARGPTGES
Lithium SCHEMBL7182881 0.85 THRB (0.41) FAAHPTGDR2THRATHRBPPARG

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 FAAH 3151/4885PTGDR2 3838/4885THRA 1901/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 FAAH 2825/4885PTGDR2 3936/4885THRA 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.