SCHEMBL10099733

SCHEMBL10099733

CC1=CCC2C(=O)N(c3ccccc3)C(=O)C2C1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
ALDH1A1 P00352 3/20 0.60
TSHR P16473 3/20 0.60
KMT2A Q03164 7/20 0.59
MEN1 O00255 3/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
POLB P06746 3/20 0.58
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.49

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
SCHEMBL10903773 0.87 GAA (0.66) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL10904614 0.84 GAA (0.71) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL10902964 0.84 GAA (0.63) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL13483837 0.84 ALDH1A1 (0.64) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL10899850 0.84 KMT2A (0.65) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL5922732 0.82 ALDH1A1 (0.62) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL10904261 0.81 TSHR (0.67) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL10904126 0.81 TSHR (0.60) ALDH1A1TSHRKMT2AMEN1HPGD
SCHEMBL10903800 0.81 NPSR1 (0.68) GAAALDH1A1TSHRKMT2AMEN1
SCHEMBL10904271 0.81 GAA (0.58) GAAALDH1A1TSHRKMT2AMEN1

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-8110695-B2 Compounds and compositions containing silicon and/or other heteroatoms and/or metals and methods of making and using them WELKER MARK E (US) 2012-02-07 US disclosed
US-20100056801-A1 Compounds And Compositions Containing Silicon And/Or Other Heteroatoms And/Or Metals And Methods of Making And Using Them WELKER MARK E 2010-03-04 US disclosed
US-4596826-A Anticonvulsants EISAI CO., LTD. (JP) 1986-06-24 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-20100056801-A1 Compounds And Compositions Containing Silicon And/Or Other Heteroatoms And/Or Metals And Methods of Making And Using Them CA6, SOD1, CA1 GAA 656/4885ALDH1A1 2774/4885TSHR 4621/4885

“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.