SCHEMBL7182209

SCHEMBL7182209

CCCCCOc1cc(OCCCCC)c(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCCCCC)c1.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
S1PR1 P21453 3/20 0.40
FAAH O00519 1/20 0.39
SMPD1 P17405 3/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PDK2 Q15119 2/20 0.38
PLA2G2A P14555 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2D6 P10635 2/20 0.37
CACNA1B Q00975 1/20 0.37
PLA2G2D Q9UNK4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7181224 0.99 THRA (0.43) THRATHRBS1PR1FAAHSMPD1
SCHEMBL7182741 0.97 FAAH (0.41) THRATHRBFAAHPLK1PLK3
SCHEMBL7177721 0.93 KMT2A (0.39) THRATHRBFAAHPDK2PTGDR2
SCHEMBL7183985 0.88 L3MBTL1 (0.38) THRAPTGDR2CYP2D6CYP1A2CYP3A4
SCHEMBL7177796 0.88 HTT (0.39) CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL7181374 0.87 THRA (0.44) THRATHRBS1PR1FAAHSMPD1
SCHEMBL7180865 0.86 KCNK3 (0.43) CYP1A2CYP2C19
SCHEMBL7179765 0.86 THRA (0.46) THRATHRBS1PR1FAAHSMPD1
SCHEMBL7189117 0.86 PDK2 (0.39) S1PR1PDK2CYP2D6CYP1A2CYP3A4
SCHEMBL7182872 0.84 THRA (0.41) THRATHRBFAAHPDK2PTGDR2

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 2119/4885S1PR1 549/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 THRA 2159/4885THRB 2521/4885S1PR1 703/4885

“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.