SCHEMBL6805400

SCHEMBL6805400

CNC(C(=O)O)C(C)(C)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
OPRK1 P41145 6/20 0.41
OPRD1 P41143 4/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 2/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NLRP3 Q96P20 1/20 0.36
TSHR P16473 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL6805401 1.00 KIF11 (0.42) KIF11OPRK1OPRD1HSD17B1HSD17B2
SCHEMBL6670756 0.86 KIF11 (0.46) KIF11LMNA
SCHEMBL6670753 0.86 KIF11 (0.46) KIF11LMNA
SCHEMBL5981504 0.83 HDAC3 (0.44) KIF11OPRK1ALDH1A1CYP1A2HIF1A
SCHEMBL88835 0.83 HDAC3 (0.44) KIF11OPRK1ALDH1A1CYP1A2HIF1A
SCHEMBL6805664 0.83 SMN1; SMN2 (0.47) CYP3A4ALDH1A1CYP1A2LMNAKDM4E
SCHEMBL6671197 0.83 KIF11 (0.44) KIF11OPRK1ALDH1A1LMNA
SCHEMBL6805659 0.83 SMN1; SMN2 (0.47) CYP3A4ALDH1A1CYP1A2LMNAKDM4E
SCHEMBL6806879 0.83 KCNN4 (0.45) KDM4E
SCHEMBL6805901 0.83 SMN1; SMN2 (0.41) CA1CA2CA9ALDH1A1LMNA

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN KIF11 1869/4885OPRK1 3566/4885OPRD1 4532/4885

“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.