SCHEMBL6860633

SCHEMBL6860633

c1ccc(P(OCC2C(COP(c3ccccc3)c3ccccc3)C3CC2C(COP(c2ccccc2)c2ccccc2)C3COP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH2 P25021 1/20 0.31
ADRA1B P35368 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL6860779 0.76 CYP3A4 (0.34) CYP3A4TDP1
SCHEMBL10295064 0.73 SLC6A4 (0.39) CYP3A4TDP1SLC6A3
SCHEMBL12521565 0.72 CYP3A4 (0.30) CYP3A4TDP1
SCHEMBL11664119 0.70 HTR2A (0.32)
SCHEMBL6860808 0.69 CYP3A4 (0.35) CYP3A4TDP1HRH2ADRA1BOPRK1
SCHEMBL3963406 0.69 CYP3A4 (0.43) CYP3A4TDP1
SCHEMBL6860443 0.67 OPRM1 (0.33) OPRK1
SCHEMBL6854481 0.67 KDM4E (0.40)
SCHEMBL196443 0.66 CYP3A4 (0.39) CYP3A4TDP1
SCHEMBL5346768 0.66 CYP3A4 (0.39) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 EP 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 CYP3A4 3011/4885TDP1 1650/4885HRH2 1803/4885

“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.