Sugi Predict

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SCHEMBL7180903

SCHEMBL7180903

CCc1cccc(CC)c1C(=O)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FEN1 P39748 1/20 0.37
▸ SLC16A3 O15427 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AKR1B10 O60218 1/20 0.35
▸ UGT1A9 O60656 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ MT-CO2 P00403 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ CXCL8 P10145 1/20 0.35
▸ UGT1A6 P19224 1/20 0.35
▸ UGT1A1 P22309 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
SCHEMBL7190327 0.92 ITGB1 (0.47) ITGB1ITGA4ALDH1A1SMN1; SMN2PTGS2
SCHEMBL6470357 0.91 GABRA1 (0.41) ALDH1A1GAAKMT2A
SCHEMBL7188226 0.88 HTT (0.44) ITGB1ITGA4ALDH1A1SMN1; SMN2MAPT
SCHEMBL58730 0.87 ALDH1A1 (0.47) ALDH1A1FEN1MAPTPTK2BKMT2A
SCHEMBL7188206 0.84 PTGS2 (0.40) ITGB1ITGA4ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7187675 0.83 NR4A2 (0.50) ALDH1A1SMN1; SMN2MAPTPTK2BKMT2A
SCHEMBL7188901 0.82 ALDH1A1 (0.39) ALDH1A1FEN1MAPTPTK2BGAA
SCHEMBL7179862 0.82 TYK2 (0.44) ITGB1ITGA4ALDH1A1MAPTPTK2B
SCHEMBL7174811 0.82 TYK2 (0.44) ITGB1ITGA4ALDH1A1MAPTPTK2B
SCHEMBL7179365 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2FEN1MAPTPTK2B

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 ITGB1 2786/4885ITGA4 3521/4885ALDH1A1 3416/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ITGB1 3321/4885ITGA4 3643/4885ALDH1A1 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.