Sugi Predict

Sugi Predict / Compounds / SCHEMBL7187729

SCHEMBL7187729

SCHEMBL7187729

Cc1cc(C)c(C(=O)C(C(=O)OCC(C)C)c2ccccc2)c(C)c1.O=[PH3]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MMP8 P22894 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ CACNA1D Q01668 1/20 0.34
▸ CACNA1S Q13698 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ P2RX4 Q99571 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
SCHEMBL27485324 0.96 ALDH1A1 (0.44) ALDH1A1TSHRMMP8L3MBTL1SLC6A2
SCHEMBL7180529 0.90 ALDH1A1 (0.45) ALDH1A1TSHRMMP8L3MBTL1MEN1
SCHEMBL7174854 0.89 TSHR (0.40) ALDH1A1TSHRMMP8L3MBTL1CACNA1F
SCHEMBL7184509 0.89 ALDH1A1 (0.42) ALDH1A1TSHRMMP8L3MBTL1KMT2A
SCHEMBL7183564 0.88 MMP8 (0.54) TSHRMMP8L3MBTL1SLC6A2SLC6A4
SCHEMBL7182458 0.88 SLC22A1 (0.41) ALDH1A1MMP8L3MBTL1SLC6A2SLC6A4
SCHEMBL7189842 0.87 MMP8 (0.37) ALDH1A1MMP8L3MBTL1SLC6A2SLC6A4
SCHEMBL27485279 0.87 ALDH1A1 (0.45) ALDH1A1TSHRMMP8L3MBTL1MEN1
SCHEMBL7182128 0.85 TACR1 (0.43) ALDH1A1MMP8L3MBTL1SLC6A2SLC6A3
SCHEMBL7183200 0.85 MMP8 (0.44) ALDH1A1MMP8L3MBTL1SLC6A2SLC6A4

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 3416/4885TSHR 984/4885MMP8 4404/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885TSHR 1273/4885MMP8 4586/4885

“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.