SCHEMBL14401889

SCHEMBL14401889

CCC1CCCCC1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.46
SLC6A11 P48066 5/20 0.46
SLC6A13 Q9NSD5 5/20 0.46
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CDC25A P30304 1/20 0.34
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
FFAR3 O14843 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
HSD11B1 P28845 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL29099881 0.91 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL1925986 0.88 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL29697589 0.85 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13SMN1; SMN2SLC6A1
Bicarbonate SCHEMBL11401768 0.85 CA1 (0.41) CA1CA2CA4FFAR3HSD11B1
SCHEMBL11051978 0.83 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL14361052 0.83 CA1 (0.52) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL21974894 0.82 CA1 (0.35) CA1CA2CA4ALDH1A1
SCHEMBL3831316 0.79 CA1 (0.31) CA1CA2CA4
SCHEMBL2316031 0.79 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3
SCHEMBL11515327 0.78 ALOX5 (0.39) CA1CA2CA4FFAR3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074859-A Indoleamine 2, the diaza and three aza-tricycle compounds of the cyclohexyl-ethyl substitution of 3 dioxygenases (IDO) antagonist are used as treating cancer 默克专利有限公司 2017-08-18 CN disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SLC6A12 4805/4885SLC6A11 4766/4885SLC6A13 4656/4885

“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.