SCHEMBL7180839

SCHEMBL7180839

COc1cccc(Cl)c1C(=O)Pc1c(OC(C)OC)cc(OC(C)OC)cc1OC(C)OC.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 2/20 0.36
CXCL12 P48061 1/20 0.35
FABP4 P15090 1/20 0.34
BRPF1 P55201 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
AURKA O14965 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ELANE P08246 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
SCHEMBL7175696 0.95 SMN1; SMN2 (0.33) MAPTCXCL12ITGB1ITGA4SMN1; SMN2
SCHEMBL7187923 0.93 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7175436 0.90 FFAR1 (0.35) CA12CA1CA2CA7CA9
SCHEMBL7184833 0.90 ABL1 (0.33) CXCL12FABP4ITGB1ITGA4SMN1; SMN2
SCHEMBL7175820 0.89 BRPF1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7180392 0.87 MAPT (0.38) CA12CA1CA2CA7CA9
SCHEMBL7183562 0.85 HDAC1 (0.35) CA12CA1CA2CA7CA9
SCHEMBL7183739 0.84 MAPT (0.44) CA12CA1CA2CA7CA9
SCHEMBL7190017 0.84 FFAR1 (0.35) MAPTSMN1; SMN2ELANE
SCHEMBL7179707 0.83 CA12 (0.38) CA12CA1CA2CA7CA9

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 CA12 1552/4885CA1 2219/4885CA2 2297/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 CA12 1320/4885CA1 2302/4885CA2 2346/4885

“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.