SCHEMBL12858698

SCHEMBL12858698

CC1CC2=C(CC1(CO)CO)C(C)(C)CCC2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC2A1 P11166 1/20 0.36
▸ MCL1 Q07820 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL27536969 0.76 ALDH1A1 (0.72) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL2226978 0.75 ALDH1A1 (0.55) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL4079229 0.75 ALDH1A1 (0.58) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL27741699 0.74 ALDH1A1 (0.80) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL868588 0.74 ALDH1A1 (0.61) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL14001694 0.73 ALDH1A1 (1.00) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL111407 0.73 ALDH1A1 (1.00) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL19924617 0.73 ALDH1A1 (1.00) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL8607770 0.73 ALDH1A1 (1.00) ALDH1A1TDP1POLBNPSR1LMNA
SCHEMBL4115035 0.73 ALDH1A1 (0.56) ALDH1A1TDP1POLBNPSR1LMNA

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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 — — US disclosed
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 — — US disclosed
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 — — WO 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP ALDH1A1 4135/4885TDP1 1634/4885POLB 4264/4885

“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.

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