SCHEMBL7187585

SCHEMBL7187585

Cc1cccc(Cl)c1C(=O)Pc1c(OCCC(C)C)cc(OCCC(C)C)cc1OCCC(C)C.[LiH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.35
MCL1 Q07820 3/20 0.35
NR1H4 Q96RI1 2/20 0.35
GALR3 O60755 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR1 P03372 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7177474 0.94 HTT (0.40) S1PR1S1PR5HTTMAPK1TP53
SCHEMBL7181591 0.92 HTT (0.40) S1PR1S1PR5HTTMAPK1TP53
SCHEMBL7179902 0.89 HTT (0.39) S1PR1S1PR5HTTMAPK1MAPT
SCHEMBL7186458 0.88 ELANE (0.39) TRPM4TP53MAPTMCL1ALOX5
SCHEMBL7188683 0.88 S1PR1 (0.38) S1PR1S1PR5HTTMAPK1TRPM4
SCHEMBL7189062 0.87 PPARG (0.40) TP53MAPTMCL1ALOX5
SCHEMBL7184841 0.87 L3MBTL1 (0.39) TRPM4MAPTMCL1ITGB3ITGB1
SCHEMBL7189068 0.87 PTGER1 (0.38) TRPM4MAPT
SCHEMBL7180541 0.86 THRB (0.40) MCL1ALOX5
SCHEMBL7189393 0.85 THRB (0.42)

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

“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.