SCHEMBL799168

SCHEMBL799168

CC(C)NC(=O)C1=C(C(C)C)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
MLYCD O95822 1/20 0.33
MAPT P10636 1/20 0.32
ALOX5 P09917 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHRM4 P08173 1/20 0.31
ALOX15 P16050 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 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
SCHEMBL15614522 0.80 SLC6A3 (0.47) SLC6A3SLC6A2
SCHEMBL13544841 0.78 MLYCD (0.38) ALDH1A1TP53HPGDMAPK1CA12
SCHEMBL13544576 0.78 DHODH (0.45) ALDH1A1TP53HPGDMAPK1
SCHEMBL5513609 0.77 FABP4 (0.34)
SCHEMBL18431718 0.76 MLYCD (0.37) ALDH1A1TP53HPGDMAPK1CA12
SCHEMBL15614482 0.76 SLC6A3 (0.47) ALDH1A1SLC6A3SLC6A2
SCHEMBL10305730 0.74 ALDH1A1 (0.39) ALDH1A1TP53HPGDMAPK1CA12
SCHEMBL5513858 0.72 PKM (0.33) RXFP1SLC6A3SLC6A2
SCHEMBL18431663 0.72 ALDH1A1 (0.40) ALDH1A1TP53HPGDMAPK1CA12
SCHEMBL16218021 0.71 MAPT (0.39) ALDH1A1TP53HPGDMAPK1MLYCD

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ALDH1A1 3750/4885TP53 271/4885HPGD 3058/4885

“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.