SCHEMBL7802848

SCHEMBL7802848

CC(C)(C)OCC1CCCOC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
GRM4 Q14833 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
SCHEMBL17014753 0.96 ALDH1A1 (0.42) ALDH1A1HDAC3HDAC1HDAC2GRM4
SCHEMBL7802845 0.88 ALDH1A1 (0.48) ALDH1A1
SCHEMBL18355279 0.79 ALDH1A1 (0.56) ALDH1A1
SCHEMBL21430659 0.78
SCHEMBL12015522 0.78
SCHEMBL7741403 0.77 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11930045 0.77 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4569271 0.75 ALDH1A1 (0.46) ALDH1A1
SCHEMBL10136644 0.75 PDE8B (0.30)
SCHEMBL7739610 0.74 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ALDH1A1 209/4885HDAC3 4353/4885HDAC1 2715/4885

“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.