SCHEMBL13849656

SCHEMBL13849656

CC(C)c1cccc(C(C)C)c1OCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 2/20 0.46
TSHR P16473 1/20 0.42
CETP P11597 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ELANE P08246 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FOLH1 Q04609 1/20 0.36

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
SCHEMBL17549514 0.89 GLRA1 (0.39) GLRA1TSHRCETPALDH1A1KDM4E
SCHEMBL3821872 0.88 TSHR (0.41) GLRA1TSHRELANE
SCHEMBL19661152 0.81 GLRA1 (0.43) GLRA1ALDH1A1ELANE
SCHEMBL28078446 0.80 GLRA1 (0.60) GLRA1TSHRALDH1A1
SCHEMBL12999214 0.79 TSHR (0.39) GLRA1TSHRELANE
SCHEMBL5379773 0.78 TSHR (0.61) TSHRCETPALDH1A1ELANE
Fospropofol SCHEMBL28702264 0.77 TSHR (0.38) TSHRELANE
SCHEMBL17357038 0.77 TSHR (0.49) TSHRCETPALDH1A1KDM4EELANE
Fospropofol SCHEMBL3821874 0.77 GABRA1 (0.39) GLRA1TSHR
SCHEMBL14467274 0.77 CYP3A4 (0.49) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534776-B2 Process for preparing water-soluble phosphonooxymethyl derivatives of alcohol and phenol EISAI CORPORATION OF NORTH AMERICA (US) 2009-05-19 US disclosed
US-7534776-B2 Process for preparing water-soluble phosphonooxymethyl derivatives of alcohol and phenol EISAI CORPORATION OF NORTH AMERICA (US) 2009-05-19 US disclosed
EP-2058320-A1 Process for preparing water-soluble phosphonooxymethyl derivatives of alcohol and phenol GUILFORD PHARMACEUTICALS INC. (US) 2009-05-13 EP disclosed
US-7244718-B2 Water soluble prodrugs of hindered alcohols UNIVERSITY OF KANSAS (US) 2007-07-17 US disclosed
US-7229978-B2 Process for preparing water soluble phosphonooxymethyl derivatives of alcohol and phenol MGI GP, INC. (US) 2007-06-12 US disclosed
US-7229978-B2 Process for preparing water soluble phosphonooxymethyl derivatives of alcohol and phenol MGI GP, INC. (US) 2007-06-12 US disclosed
US-20070043206-A1 Process for preparing water-soluble phosphonooxymethyl derivatives of alcohol and phenol MGI GP, INC. (US) 2007-02-22 US disclosed
US-20070043206-A1 Process for preparing water-soluble phosphonooxymethyl derivatives of alcohol and phenol MGI GP, INC. (US) 2007-02-22 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-20070043206-A1 Process for preparing water-soluble phosphonooxymethyl derivatives of alcohol and phenol PHOSPHO1, CD69, CYP2E1 GLRA1 2993/4885TSHR 3449/4885CETP 1806/4885

“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.