SCHEMBL7177474

SCHEMBL7177474

CC(C)CCOc1cc(OCCC(C)C)c(PC(=O)c2c(Cl)cccc2Cl)c(OCCC(C)C)c1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 3/20 0.38
GALR3 O60755 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALOX5 P09917 1/20 0.36
FABP3 P05413 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
IDO1 P14902 1/20 0.34
PDK2 Q15119 1/20 0.34
TP53 P04637 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
SCHEMBL7179902 0.94 HTT (0.39) HTTS1PR1S1PR5MAPK1EPHX2
SCHEMBL7187585 0.94 S1PR1 (0.37) HTTS1PR1S1PR5MAPK1EPHX2
SCHEMBL7181591 0.88 HTT (0.40) HTTS1PR1S1PR5MAPK1EPHX2
SCHEMBL7184556 0.87 HTT (0.42) HTTMAPK1EPHX2NR1H4GALR3
SCHEMBL7186608 0.86 ELANE (0.42) TP53
SCHEMBL7189819 0.86 S1PR1 (0.41) HTTS1PR1S1PR5MAPK1EPHX2
SCHEMBL7187854 0.85 FAAH (0.41) HTTMAPK1TDP1
SCHEMBL7181868 0.85 FOS (0.40) NR1H4TDP1TP53
SCHEMBL7175700 0.85 L3MBTL1 (0.42) HTTTDP1GAA
SCHEMBL7182812 0.84 THRB (0.44)

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 HTT 2802/4885S1PR1 549/4885S1PR5 716/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 HTT 2393/4885S1PR1 703/4885S1PR5 932/4885

“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.