SCHEMBL7181374

SCHEMBL7181374

CCCCCOc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCCCCC)c1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
PDK2 Q15119 3/20 0.41
PLA2G4B P0C869 2/20 0.40
FAAH O00519 1/20 0.39
SMPD1 P17405 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
S1PR1 P21453 1/20 0.39
CYP2D6 P10635 2/20 0.38
CACNA1B Q00975 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
SCHEMBL7179765 0.99 THRA (0.46) THRATHRBPDK2PLA2G4BFAAH
SCHEMBL7182872 0.98 THRA (0.41) THRATHRBPDK2FAAHMRGPRX4
Lithium SCHEMBL7182881 0.96 THRB (0.41) THRATHRBPDK2FAAHMRGPRX4
SCHEMBL7177770 0.94 KMT2A (0.40) THRATHRBPDK2FAAHMRGPRX4
Lithium SCHEMBL7177779 0.91 KMT2A (0.40) THRATHRBPDK2FAAHMRGPRX4
SCHEMBL7182314 0.89 THRA (0.44) THRATHRBPDK2PLA2G4BFAAH
SCHEMBL7188859 0.88 LMNA (0.41) THRAMRGPRX4CYP2D6PPARGCYP1A2
SCHEMBL7182716 0.88 THRA (0.46) THRATHRBPDK2PLA2G4BFAAH
SCHEMBL7182798 0.88 MRGPRX4 (0.39) MRGPRX4CYP2D6PPARGCYP1A2CYP3A4
SCHEMBL7182209 0.87 THRA (0.41) THRATHRBPDK2FAAHSMPD1

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 THRA 1901/4885THRB 2119/4885PDK2 3391/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 THRA 2159/4885THRB 2521/4885PDK2 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.