Sugi Predict

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SCHEMBL7180427

SCHEMBL7180427

CCCCC(CC)COc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(C)c1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ ATM Q13315 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL7180132 0.92 ITGB1 (0.37) ITGB1ITGA4ALDH1A1CYP3A4CA2
SCHEMBL7180852 0.92 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL7180792 0.91 ATM (0.36) ITGB1ITGA4ALDH1A1CYP3A4CA2
SCHEMBL7185436 0.91 ALDH1A1 (0.37) ITGB1ITGA4ALDH1A1CYP3A4CA2
SCHEMBL7182729 0.88 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL7182289 0.87 ITGB1 (0.41) ITGB1ITGA4ALDH1A1CYP3A4CA2
SCHEMBL7186466 0.87 TDP1 (0.41) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL7188813 0.86 TDP1 (0.39) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL7175757 0.85 ITGB1 (0.47) ITGB1ITGA4PPARGPPARA
SCHEMBL7181530 0.85 ALDH1A1 (0.39) ALDH1A1CYP3A4CA2MAPK1TSHR

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.