SCHEMBL2867755

SCHEMBL2867755

C=CC(C)CCC(OCCC(C)C)=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2860771 0.86
SCHEMBL2862357 0.83 TSHR (0.40)
SCHEMBL2864387 0.82
SCHEMBL2856948 0.78
SCHEMBL2864117 0.74 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL2859389 0.72 ALDH1A1 (0.42) CA12CA1CA2CA9TDP1
SCHEMBL2866508 0.70 TDP1 (0.40) TDP1
SCHEMBL2866506 0.70 TDP1 (0.40) TDP1
SCHEMBL2859456 0.69 NAAA (0.33) CA12CA1CA2CA9
SCHEMBL2872236 0.68 LMNA (0.34) TDP1

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-7728180-B2 Method for producing ethers KURARAY CO., LTD. (JP) 2010-06-01 US disclosed
US-20080262272-A1 Method For Producing Ethers KURARAY CO., LTD. (JP) 2008-10-23 US disclosed
EP-1760061-A1 METHOD FOR PRODUCING ETHERS KURARAY CO., LTD. (JP) 2007-03-07 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-20080262272-A1 Method For Producing Ethers TELO2, PDS5A, TERT CA12 3726/4885CA1 3451/4885CA2 3925/4885

“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.