SCHEMBL7179902

SCHEMBL7179902

COc1cccc(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
HTT P42858 1/20 0.39
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MAPK1 P28482 1/20 0.36
F2 P00734 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 2/20 0.35

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) HTTS1PR1S1PR5MAPK1TDP1
SCHEMBL7184556 0.93 HTT (0.42) HTTMAPK1CA12CA1CA2
SCHEMBL7187585 0.89 S1PR1 (0.37) HTTS1PR1S1PR5MAPK1SMN1; SMN2
SCHEMBL7180843 0.88 L3MBTL1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7186427 0.88 ELANE (0.43) CA12CA1CA2CA7CA9
SCHEMBL7177413 0.88 S1PR1 (0.38) HTTS1PR1S1PR5MAPK1CA12
SCHEMBL7183569 0.87 MAPT (0.42) CA12CA1CA2CA7CA9
SCHEMBL7175199 0.87 FOS (0.37) CA12CA1CA2CA7CA9
SCHEMBL7177969 0.86 MAPT (0.41) MAPTTDP1L3MBTL1
SCHEMBL7190076 0.85 PPARA (0.42) MAPTTDP1L3MBTL1

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.