SCHEMBL7180610

SCHEMBL7180610

COc1cccc(Cl)c1C(=O)P(=O)(CC(C)CC(C)(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.36
ITGB1 P05556 3/20 0.36
ITGA4 P13612 3/20 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
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7187533 0.92 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7189073 0.90 ITGB1 (0.35) ITGB1ITGA4ALDH1A1MAPTRAB9A
SCHEMBL7183089 0.87 ALDH1A1 (0.42) FABP4ITGB1ITGA4CA12CA1
SCHEMBL7185619 0.86 ITGB1 (0.38) FABP4ITGB1ITGA4L3MBTL1
SCHEMBL7179702 0.84 KMT2A (0.40) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL5997952 0.82 ITGB1 (0.36) FABP4ITGB1ITGA4CA12CA1
SCHEMBL7188696 0.81 CA12 (0.44) FABP4ITGB1ITGA4CA12CA1
SCHEMBL7180853 0.80 ALDH1A1 (0.44) FABP4ITGB1ITGA4CA12CA1
SCHEMBL7181272 0.79 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2L3MBTL1MEN1POLB
SCHEMBL7186924 0.78 CA12 (0.42) FABP4ITGB1ITGA4CA12CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
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
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN 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 FABP4 4550/4885ITGB1 2786/4885ITGA4 3521/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 FABP4 4256/4885ITGB1 3321/4885ITGA4 3643/4885

“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.