SCHEMBL7183100

SCHEMBL7183100

COc1cccc(OC)c1C(=O)Pc1ccc(OCCC(C)C)cc1C.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
EPHX2 P34913 1/20 0.38
ALOX5 P09917 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
HTT P42858 1/20 0.38
GALR3 O60755 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDK2 Q15119 1/20 0.36
MGAM O43451 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
SCHEMBL7181389 0.94 ALDH1A1 (0.38) MAPK1SMN1; SMN2EPHX2ALOX5NR1H4
SCHEMBL7183202 0.91 MAPK1 (0.40) MAPK1SMN1; SMN2EPHX2L3MBTL1TDP1
SCHEMBL7186811 0.90 HTT (0.41) MAPK1SMN1; SMN2EPHX2ALOX5NR1H4
SCHEMBL7189092 0.89 XDH (0.39) SMN1; SMN2NR1H4CA12CA1CA2
SCHEMBL7187020 0.89 MAPK1 (0.43) MAPK1SMN1; SMN2EPHX2NR1H4HTT
SCHEMBL7186807 0.88 THRB (0.41) MAPK1SMN1; SMN2ALOX5L3MBTL1CA12
SCHEMBL7181520 0.88 KMT2A (0.41) MAPK1SMN1; SMN2L3MBTL1CA12CA1
SCHEMBL7182575 0.88 MAPT (0.40) MAPK1SMN1; SMN2L3MBTL1CA12CA1
SCHEMBL7182069 0.87 S1PR1 (0.41) MAPK1SMN1; SMN2EPHX2NR1H4GALR3
SCHEMBL7178034 0.86 THRB (0.43)

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 MAPK1 1801/4885SMN1; SMN2 2939/4885EPHX2 2476/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 MAPK1 2710/4885SMN1; SMN2 3105/4885EPHX2 2048/4885

“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.