Sugi Predict

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SCHEMBL7174652

SCHEMBL7174652

COc1cccc(Cl)c1C(=O)C(C(=O)OCC(C)CC(C)(C)C)c1ccccc1.O=[PH3]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ CTSA P10619 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ CRHBP P24387 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
SCHEMBL7174837 0.93 CA12 (0.38) ALDH1A1HPGDMEN1KMT2ACA12
SCHEMBL7182755 0.92 NPC1 (0.36) HTR1DALDH1A1MEN1POLBKMT2A
SCHEMBL7177432 0.88 ALDH1A1 (0.39) HTR1DFABP4ALDH1A1HPGDMEN1
SCHEMBL7175973 0.88 L3MBTL1 (0.36) HTR1DALDH1A1MEN1POLBKMT2A
SCHEMBL27499346 0.84 ALDH1A1 (0.40) HTR1DFABP4ALDH1A1HPGDMEN1
SCHEMBL7186755 0.84 MMP8 (0.47) HTR1DFABP4ALDH1A1MEN1KMT2A
SCHEMBL7177316 0.83 TDP1 (0.37) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7181588 0.83 ITGA4 (0.39) HTR1DFABP4ALDH1A1HPGDMEN1
SCHEMBL7189706 0.82 FABP4 (0.44) HTR1DFABP4ALDH1A1HPGDMEN1
SCHEMBL7181903 0.82 KCNA3 (0.38) FABP4ALDH1A1HPGDMEN1POLB

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 HTR1D 2729/4885FABP4 4550/4885ALDH1A1 3416/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 HTR1D 3013/4885FABP4 4256/4885ALDH1A1 3984/4885

“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.