SCHEMBL2969240

SCHEMBL2969240

CCCCOP(=O)(OCCCC)C(C)CO

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
LPAR3 Q9UBY5 8/20 0.44
LPAR2 Q9HBW0 6/20 0.44
LPAR1 Q92633 3/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.39
TRPM8 Q7Z2W7 2/20 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
SCHEMBL7804487 0.83 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL11345366 0.81 CYP3A4 (0.47) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL4454776 0.80 CYP3A4 (0.50) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL3291222 0.79 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL13618652 0.79 CYP3A4 (0.58) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL14059824 0.78 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL7804495 0.78 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1TRPM8
SCHEMBL10831955 0.77 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL4449162 0.77 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1GAA
SCHEMBL17860958 0.74 CYP3A4 (0.48) CYP3A4LPAR3LPAR2LPAR1GAA

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-7772440-B2 Process for preparing phosponates having alcoholic hydroxyl group DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-10 US disclosed
US-20090062568-A1 PROCESS FOR PREPARING PHOSPHONATES HAVING ALCOHOLIC HYDROXYL GROUP DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-03-05 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-20090062568-A1 PROCESS FOR PREPARING PHOSPHONATES HAVING ALCOHOLIC HYDROXYL GROUP PHOSPHO1, ADH1C, ADH1A CYP3A4 1057/4885LPAR3 2071/4885LPAR2 2227/4885

“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.