SCHEMBL7180424

SCHEMBL7180424

CCCCC(CC)COc1cc(OCC(CC)CCCC)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCC(CC)CCCC)c1.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 3/20 0.36
CYP3A4 P08684 4/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCL2L1 Q07817 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
THRB P10828 2/20 0.31
THRA P10827 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL7175746 0.91 ALDH1A1 (0.36) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7180467 0.88 ALDH1A1 (0.35) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7186848 0.88 ALDH1A1 (0.40) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7174581 0.87 ALDH1A1 (0.36) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7181539 0.85 TDP1 (0.40) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7188462 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7177978 0.83 THRB (0.39) THRBTHRAPTGESALOX5PPARG
SCHEMBL7189839 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7186795 0.83 ALDH1A1 (0.41) ALDH1A1MAPK1CYP3A4CA2TSHR
SCHEMBL7185436 0.82 ALDH1A1 (0.37) ALDH1A1MAPK1CYP3A4CA2TSHR

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 1801/4885CYP3A4 1652/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALDH1A1 3984/4885MAPK1 2710/4885CYP3A4 1881/4885

“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.