SCHEMBL2882497

SCHEMBL2882497

CCCCCCOC(=O)CP(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
ESR1 P03372 3/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
FAAH O00519 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G2A P14555 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL1035836 1.00 NAAA (0.44) NAAAESR1ITGB1ITGA4THRB
SCHEMBL1036203 1.00 NAAA (0.44) NAAAESR1ITGB1ITGA4THRB
SCHEMBL1035930 1.00 NAAA (0.44) NAAAESR1ITGB1ITGA4THRB
SCHEMBL1036933 1.00 NAAA (0.44) NAAAESR1ITGB1ITGA4THRB
SCHEMBL1038249 0.99 ITGB1 (0.43) NAAAESR1ITGB1ITGA4THRB
SCHEMBL1038238 0.93 ITGB1 (0.40) NAAAESR1ITGB1ITGA4THRB
SCHEMBL1038734 0.90 FAAH (0.47) NAAAESR1ITGB1ITGA4THRB
SCHEMBL1035772 0.89 ALDH1A1 (0.37) ITGB1ITGA4THRBTHRANPSR1
SCHEMBL1037305 0.85 TDP1 (0.38) ESR1ITGB1ITGA4THRBTHRA
SCHEMBL1035075 0.81 TDP1 (0.41) LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 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 (1 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-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof ME2, ME3, MEP1A NAAA 139/4885ESR1 1655/4885ITGB1 3366/4885

“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.