Sugi Predict

Sugi Predict / Compounds / SCHEMBL7177751

SCHEMBL7177751

SCHEMBL7177751

COc1cccc(Cl)c1C(=O)C(C(=O)OOC(C)OC)c1ccccc1.O=[PH3]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ FABP4 P15090 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 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
▸ MEN1 O00255 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7182703 0.92 POLB (0.38) ALDH1A1LMNAPOLBFABP4NPC1
SCHEMBL7177979 0.92 CA12 (0.41) ALDH1A1LMNAHPGDKMT2ACA12
SCHEMBL7181511 0.88 ALDH1A1 (0.38) ALDH1A1LMNAPOLBFABP4NPC1
SCHEMBL7189706 0.85 FABP4 (0.44) ALDH1A1LMNAPOLBFABP4NPC1
SCHEMBL7179716 0.84 AKR1C3 (0.41) ALDH1A1LMNAPOLBFABP4NPC1
SCHEMBL7180935 0.82 KMT2A (0.37) ALDH1A1LMNAPOLBNPC1MAPT
SCHEMBL7177432 0.82 ALDH1A1 (0.39) ALDH1A1POLBFABP4NPC1MAPT
SCHEMBL7186755 0.82 MMP8 (0.47) ALDH1A1LMNAFABP4MAPTKMT2A
SCHEMBL7175831 0.82 L3MBTL1 (0.42) ALDH1A1LMNAPOLBNPC1MAPT
SCHEMBL7181588 0.81 ITGA4 (0.39) ALDH1A1LMNAPOLBFABP4NPC1

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 ALDH1A1 3416/4885LMNA 3241/4885POLB 2322/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885LMNA 3247/4885POLB 2993/4885

“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.