Sugi Predict

Sugi Predict / Compounds / SCHEMBL7189708

SCHEMBL7189708

SCHEMBL7189708

CCCCC(CC)COc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ FAAH O00519 2/20 0.36
▸ PTGES O14684 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTT P42858 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
SCHEMBL7179835 0.86 FAAH (0.44) CYP3A4FAAHPTGESALOX5PPARG
SCHEMBL7199983 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4CA2LMNATDP1
SCHEMBL7188923 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4CA2LMNATDP1
SCHEMBL7732177 0.85 ALDH1A1 (0.38) ALDH1A1CYP3A4CA2LMNATDP1
SCHEMBL7187718 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNATDP1
SCHEMBL7180837 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNATDP1
SCHEMBL7175118 0.84 NR5A1 (0.43) CYP3A4FAAHTSHR
SCHEMBL7187632 0.83 TDP1 (0.42) ALDH1A1CYP3A4CA2LMNATDP1
SCHEMBL7186263 0.83 NR5A1 (0.46) FAAHTSHRPLK1PLK3
SCHEMBL7182426 0.82 PDK2 (0.39) ALDH1A1KDM4EKMT2AXBP1

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 3416/4885CYP3A4 1652/4885CA2 2297/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885CYP3A4 1881/4885CA2 2346/4885

“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.