SCHEMBL7181204

SCHEMBL7181204

COc1cccc(OC)c1C(=O)Pc1ccc(OCC(C)C)cc1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 6/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 4/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL7190315 0.93 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7189494 0.89 KMT2A (0.40) SMN1; SMN2ALDH1A1FOSJUNMAPT
SCHEMBL7180046 0.88 MAPK1 (0.47) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7183274 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7188886 0.84 NR1H4 (0.40) SMN1; SMN2NR1H4ALDH1A1MAPTMEN1
SCHEMBL7185510 0.84 NR1H4 (0.40) NR1H4ALDH1A1FOSJUNMAPT
SCHEMBL7175420 0.83 CA12 (0.49) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7183431 0.83 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7187424 0.83 MAPT (0.46) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7187607 0.83 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA1CA2CA7

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 SMN1; SMN2 2939/4885CA12 1552/4885CA1 2219/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 SMN1; SMN2 3105/4885CA12 1320/4885CA1 2302/4885

“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.