SCHEMBL6671640

SCHEMBL6671640

CNC(C(=O)O)C1(c2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.47
AKR1C1 Q04828 1/20 0.44
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 5/20 0.44
SLC6A2 P23975 2/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
P2RX7 Q99572 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6669439 0.98 HDAC4 (0.49) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL6670890 0.93 HDAC4 (0.42) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL14899045 0.77 AKR1C1 (0.48) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL27584803 0.77 HDAC4 (0.44) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL14216801 0.77 TSHR (0.42) HDAC4
SCHEMBL1953126 0.75 AKR1C1 (0.50) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL290754 0.74 HDAC4 (0.50) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL27774530 0.74 HDAC4 (0.50) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL27742158 0.74 AKR1C1 (0.48) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2
SCHEMBL28776197 0.72 SLC6A4 (0.50) HDAC4AKR1C1SLC6A4SLC6A3SLC6A2

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN HDAC4 648/4885AKR1C1 485/4885SLC6A4 1765/4885

“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.