SCHEMBL7184556

SCHEMBL7184556

COc1cccc(OC)c1C(=O)Pc1c(OCCC(C)C)cc(OCCC(C)C)cc1OCCC(C)C.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX5 P09917 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
GALR3 O60755 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36

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 0.93 HTT (0.39) HTTMAPK1CA12CA1CA2
SCHEMBL7183640 0.91 MAPK1 (0.38) HTTMAPK1EPHX2KDM4EALDH1A1
SCHEMBL7177474 0.87 HTT (0.40) HTTMAPK1EPHX2ALOX5NR1H4
SCHEMBL7181591 0.87 HTT (0.40) HTTMAPK1EPHX2SMN1; SMN2ALOX5
SCHEMBL7188800 0.87 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7187927 0.87 CA12 (0.42) MAPK1CA12CA1CA2CA7
SCHEMBL7186811 0.86 HTT (0.41) HTTMAPK1CA12CA1CA2
SCHEMBL7181299 0.86 PPARA (0.41) CA12CA1CA2CA7CA9
SCHEMBL7189328 0.86 FOS (0.39) CA12CA1CA2CA7CA9
SCHEMBL7177416 0.85 PPARA (0.43) KMT2A

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 2802/4885MAPK1 1801/4885CA12 1552/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 HTT 2393/4885MAPK1 2710/4885CA12 1320/4885

“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.