SCHEMBL4484833

SCHEMBL4484833

CCC(C(=O)O)c1ccc(-n2ccnn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.56
CYP19A1 P11511 2/20 0.47
ELOVL1 Q9BW60 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP1A1 P04798 1/20 0.40
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
AKR1C1 Q04828 1/20 0.40
PTGS1 P23219 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRS3 P32247 1/20 0.38
KCNQ2 O43526 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
SCHEMBL4558788 0.85 NOTUM (0.52) NOTUMCYP19A1ELOVL1CYP1A1HTT
SCHEMBL17984479 0.81 NOTUM (0.48) NOTUMCYP19A1ELOVL1CYP1A1
SCHEMBL9756479 0.81 NOTUM (0.66) NOTUMCYP19A1ELOVL1AKR1C3AKR1C2
SCHEMBL2387626 0.77 NOTUM (0.56) NOTUMCYP19A1
SCHEMBL1574429 0.76 AKR1C3 (0.58) HTR1AADRA1AAKR1C3AKR1C2AKR1C1
SCHEMBL4488094 0.74 SMN1; SMN2 (0.48) ELOVL1HTR1AADRA1AAKR1C3AKR1C2
SCHEMBL12794021 0.73 NOTUM (1.00) NOTUMCYP19A1
SCHEMBL462839 0.72 NOTUM (0.56) NOTUMCYP19A1
SCHEMBL7336731 0.71 NOTUM (0.46) NOTUMCYP19A1
SCHEMBL1226388 0.71 LMNA (0.57) CYP19A1HTR1AADRA1AAKR1C3AKR1C2

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
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 NOTUM 1064/4885CYP19A1 222/4885ELOVL1 1958/4885

“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.