SCHEMBL3053049

SCHEMBL3053049

C=C(C)COC1(COC(=O)C(=C)C)C2CC3CC(C2)CC1C3

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.33
HSD11B1 P28845 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
SCHEMBL3053050 0.85 ALDH1A1 (0.39) ALDH1A1TSHRTHRBHSD11B1
SCHEMBL1310160 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTHRBHSD11B1
SCHEMBL75487 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTHRBHSD11B1
SCHEMBL15928282 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTHRBHSD11B1
SCHEMBL12266595 0.78 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL23377974 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL75649 0.76 ALDH1A1 (0.39) ALDH1A1TSHRTHRBHSD11B1
SCHEMBL685781 0.75 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL22811898 0.75 HSD11B1 (0.51) ALDH1A1TSHRTHRBHSD11B1
SCHEMBL17247226 0.74 ALDH1A1 (0.36) ALDH1A1TSHRTHRB

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-20100266954-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND CURING COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2010-10-21 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-20100266954-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND CURING COMPOSITION CONTAINING ADAMANTANE DERIVATIVE APP, TET1, AMD1 ALDH1A1 8/4885TSHR 4139/4885THRB 3702/4885

“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.