SCHEMBL6761571

SCHEMBL6761571

CCOC(=O)C1(C(=O)OCC)CCC2(CC1)NCCc1cc(O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.40
ESR1 P03372 6/20 0.40
SOD1 P00441 1/20 0.36
OPRM1 P35372 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
MAPT P10636 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL6761606 0.86 CYP2C19 (0.39) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL6761417 0.86 ALDH1A1 (0.47) ESR2ESR1OPRM1ALDH1A1CYP3A4
SCHEMBL6760152 0.84 OPRM1 (0.33) OPRM1KMT2A
SCHEMBL6760148 0.81 KMT2A (0.37) OPRM1ALDH1A1CYP3A4LMNAKDM4E
SCHEMBL6759721 0.79 OPRM1 (0.32) OPRM1ALDH1A1CYP3A4MAPTRECQL
SCHEMBL10677029 0.72 DRD2 (0.40) ESR2ESR1ALDH1A1MAPTRECQL
SCHEMBL22542192 0.70 PARP10 (0.42) OPRM1ALDH1A1CYP3A4MAPTRECQL
SCHEMBL6764417 0.70 TMEM97 (0.42) OPRM1LMNA
SCHEMBL8068124 0.69 ESR2 (0.41) ESR2ESR1OPRM1CA12CA1
SCHEMBL20910012 0.69 ESR2 (0.35) ESR2ESR1ALDH1A1MAPTRECQL

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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 ESR2 1590/4885ESR1 3543/4885SOD1 3428/4885

“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.