SCHEMBL979516

SCHEMBL979516

[CH2]CC(CCOCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 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
SCHEMBL10733317 0.84 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL27900400 0.79
SCHEMBL2800518 0.78
SCHEMBL2414769 0.77
SCHEMBL27735615 0.76 THRB (0.35) THRBLMNA
SCHEMBL294401 0.76 THRB (0.35) THRBLMNA
SCHEMBL3682858 0.76 LMNA (0.35) ALDH1A1THRBLMNA
SCHEMBL15167178 0.76 DNM1 (0.32) ALDH1A1THRB
Benzene SCHEMBL28569025 0.76 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL7590082 0.75 TSHR (0.30)

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-20110008284-A1 NOVEL CLYCLOSPORIN ANALOGUES ENANTA PHARMACEUTICALS, INC. 2011-01-13 US claimed
US-20110008284-A1 NOVEL CLYCLOSPORIN ANALOGUES ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
EP-0601184-A1 FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-15 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-20110008284-A1 NOVEL CLYCLOSPORIN ANALOGUES CHP1, FKBP1B, FKBP1A ALDH1A1 4167/4885THRB 4828/4885LMNA 4659/4885

“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.