SCHEMBL13748831

SCHEMBL13748831

COCOCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
GBA1 P04062 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP19A1 P11511 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CA2 P00918 1/20 0.46

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
SCHEMBL17877990 0.91 ALDH1A1 (0.64) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL10176529 0.88 ALDH1A1 (0.58) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL30602365 0.86 ALDH1A1 (0.63) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL12302132 0.76 ALDH1A1 (0.90) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL5567042 0.74 ALDH1A1 (0.75) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL18894208 0.74 ALDH1A1 (1.00) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL4503066 0.73 ALDH1A1 (0.74) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL27752463 0.73 ALDH1A1 (0.56) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL8048430 0.72 ALDH1A1 (0.96) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL9066249 0.72 ALDH1A1 (0.96) ALDH1A1LMNAHTTHPGDMEN1

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-20090215737-A1 Pharmaceutical Compositions - 2 BIOVIE INC. 2009-08-27 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-20090215737-A1 Pharmaceutical Compositions - 2 HSD3B2, HSD3B1, HSD17B2 ALDH1A1 3156/4885LMNA 4349/4885HTT 1754/4885

“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.