SCHEMBL25858401

SCHEMBL25858401

CC(C)CCOC(C)(C)CC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
EPHX2 P34913 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
SCHEMBL23844664 0.82 ALDH1A1 (0.34) ALDH1A1MAPK1TDP1CA1CA12
SCHEMBL17570927 0.82 ALDH1A1 (0.34) ALDH1A1MAPK1TDP1CA1CA12
SCHEMBL6000229 0.82 HMGCR (0.38) ALDH1A1MAPK1TDP1CA1CA12
SCHEMBL22104689 0.81 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1CA1CA12
SCHEMBL12700619 0.81 HTT (0.36) ALDH1A1MAPK1TDP1CA1CA12
SCHEMBL24805287 0.78 EPHX2 (0.32) ALDH1A1MAPK1EPHX2
SCHEMBL22876869 0.78 GRM4 (0.31)
SCHEMBL24208216 0.78 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL15934038 0.78 CYP2D6 (0.34) ALDH1A1MAPK1TDP1CA1CA2
SCHEMBL24657981 0.77 PGA5 (0.33) ALDH1A1MAPK1EPHX2

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-20230220116-A1 TETRAHEDRAL ANTIBODIES BIOMOLECULAR HOLDINGS LLC (US) 2023-07-13 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-20230220116-A1 TETRAHEDRAL ANTIBODIES FCGR3B, FCGR2A, FCGR1A ALDH1A1 4781/4885MAPK1 4460/4885TDP1 3593/4885

“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.