SCHEMBL6670890

SCHEMBL6670890

CNC(C(=O)O)C1(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.42
AKR1C1 Q04828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 5/20 0.38
OPRL1 P41146 4/20 0.38
HDAC9 Q9UKV0 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL6671640 0.93 HDAC4 (0.47) HDAC4AKR1C1ALDH1A1SLC6A2SLC6A4
SCHEMBL6669439 0.92 HDAC4 (0.49) HDAC4AKR1C1ALDH1A1MEN1KMT2A
SCHEMBL19647087 0.73 AKR1C1 (0.40) HDAC4AKR1C1ALDH1A1OPRM1OPRL1
SCHEMBL17215183 0.73 AKR1C1 (0.40) HDAC4AKR1C1ALDH1A1OPRM1OPRL1
SCHEMBL2569600 0.73 OPRM1 (0.42) HDAC4AKR1C1ALDH1A1OPRM1OPRL1
SCHEMBL27742157 0.72 AKR1C1 (0.42) HDAC4AKR1C1ALDH1A1OPRM1OPRL1
SCHEMBL11047935 0.71 OPRM1 (0.45) HDAC4AKR1C1OPRM1OPRL1OPRK1
SCHEMBL14216801 0.70 TSHR (0.42) HDAC4
SCHEMBL16015556 0.70 OPRM1 (0.43) HDAC4AKR1C1ALDH1A1OPRM1OPRL1
SCHEMBL27584803 0.70 HDAC4 (0.44) HDAC4AKR1C1ALDH1A1MEN1KMT2A

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 485/4885ALDH1A1 612/4885

“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.