SCHEMBL2870663

SCHEMBL2870663

C=C(C)CCCC(OCCC)=C(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
BTN3A1 O00481 1/20 0.32
ALDH1A1 P00352 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL2866518 0.90 ALDH1A1 (0.42) TSHRBTN3A1ALDH1A1
SCHEMBL2859462 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2864117 0.79 CA12 (0.36)
SCHEMBL10574795 0.76 DGKA (0.53) TSHRALDH1A1
SCHEMBL2860817 0.74 TSHR (0.33) TSHR
SCHEMBL27534646 0.71 DGKA (0.62) TSHRALDH1A1
SCHEMBL11399369 0.69
SCHEMBL9395999 0.69
SCHEMBL2864282 0.68 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL108471 0.67

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 TSHR 657/4885BTN3A1 3541/4885ALDH1A1 3068/4885

“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.