Sugi Predict

Sugi Predict / Compounds / SCHEMBL7181903

SCHEMBL7181903

SCHEMBL7181903

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 3/20 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
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL27499054 0.96 ALDH1A1 (0.39) KCNA3SLC22A1HTTALDH1A1KDM4E
SCHEMBL7181709 0.92 KCNA3 (0.42) KCNA3SLC22A1HTTALDH1A1KDM4E
SCHEMBL7180656 0.91 SLC22A1 (0.42) SLC22A1HTTALDH1A1KDM4EHSD17B10
SCHEMBL7177432 0.89 ALDH1A1 (0.39) KCNA3ALDH1A1KDM4EHSD17B10FABP4
SCHEMBL7180947 0.89 FABP4 (0.38) KCNA3ALDH1A1FABP4KMT2AMEN1
SCHEMBL27500965 0.88 ALDH1A1 (0.43) KCNA3SLC22A1HTTALDH1A1KDM4E
SCHEMBL7180909 0.87 ALDH1A1 (0.41) ALDH1A1FABP4TDP1
SCHEMBL7184421 0.87 SLC22A1 (0.39) SLC22A1NPC1RAB9APPARG
SCHEMBL7186755 0.86 MMP8 (0.47) ALDH1A1FABP4KMT2AMEN1CA12
SCHEMBL7182618 0.86 PPARA (0.42) ALDH1A1NPC1RAB9A

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 KCNA3 366/4885SLC22A1 2713/4885HTT 2802/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 KCNA3 385/4885SLC22A1 3188/4885HTT 2393/4885

“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.