Sugi Predict

Sugi Predict / Compounds / SCHEMBL7182841

SCHEMBL7182841

SCHEMBL7182841

CCCCC(CC)COc1ccc(PC(=O)c2c(Cl)cccc2OC)cc1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PPARA Q07869 4/20 0.37
▸ PPARG P37231 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ PTGES O14684 2/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CASR P41180 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7187632 0.94 TDP1 (0.42) ALDH1A1MAPK1TDP1CYP3A4CA2
SCHEMBL7180837 0.94 ALDH1A1 (0.43) ALDH1A1MAPK1TDP1CYP3A4CA2
SCHEMBL7187621 0.89 ALDH1A1 (0.41) ALDH1A1MAPK1TDP1CYP3A4CA2
SCHEMBL7190135 0.87 ALDH1A1 (0.40) ALDH1A1MAPK1TDP1CYP3A4CA2
SCHEMBL7174547 0.87 ALDH1A1 (0.41) ALDH1A1MAPK1TDP1CYP3A4CA2
SCHEMBL7181016 0.86 L3MBTL1 (0.45) TDP1CA2PPARAPPARGSMN1; SMN2
SCHEMBL7179798 0.86 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1CYP3A4CA2
SCHEMBL7187509 0.86 TDP1 (0.44) ALDH1A1MAPK1TDP1CYP3A4CA2
SCHEMBL7182674 0.84 MAPT (0.46) TDP1PPARASMN1; SMN2TSHRMAPT
SCHEMBL7187718 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1TDP1CYP3A4CA2

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 3416/4885MAPK1 1801/4885TDP1 4234/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885MAPK1 2710/4885TDP1 4275/4885

“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.