SCHEMBL2999895

SCHEMBL2999895

CCOC(=O)C1CCC(c2ccc(NC(=O)C(=O)OC)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MDM2 Q00987 1/20 0.39
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL2999891 1.00 ALDH1A1 (0.41) ALDH1A1NPC1TDP1SMN1; SMN2HPGD
SCHEMBL13247959 1.00 ALDH1A1 (0.41) ALDH1A1NPC1TDP1SMN1; SMN2HPGD
SCHEMBL13247957 0.88 ALDH1A1 (0.40) ALDH1A1NPC1TDP1SMN1; SMN2HPGD
SCHEMBL3223816 0.88 ALDH1A1 (0.40) ALDH1A1NPC1TDP1SMN1; SMN2HPGD
SCHEMBL2493672 0.85 PDE4A (0.46) NPC1KMT2AMAPK14
SCHEMBL13345937 0.85 ALDH1A1 (0.45) ALDH1A1NPC1TDP1SMN1; SMN2HPGD
SCHEMBL13247973 0.85 MAPK14 (0.38) NPC1SMN1; SMN2KMT2ATSHRMAPK14
SCHEMBL13267945 0.85 MAPK14 (0.39) NPC1KMT2AMAPK14
SCHEMBL13247944 0.84 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2HPGDKDM4E
SCHEMBL2244234 0.84 DGAT1 (0.48) ALDH1A1NPC1TDP1SMN1; SMN2HPGD

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-20100184813-A1 CHEMICAL COMPOUNDS 553 ASTRAZENECA AB (SE) 2010-07-22 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-20100184813-A1 CHEMICAL COMPOUNDS 553 GCGR, DGAT1, GPBAR1 ALDH1A1 559/4885NPC1 170/4885TDP1 3435/4885

“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.