SCHEMBL20561235

SCHEMBL20561235

C[C@]1(C(=O)OC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(OS(=O)(=O)C(F)(F)F)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(OS(=O)(=O)C(F)(F)F)ccc3CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 10/20 0.70
▸ NR1H3 Q13133 10/20 0.70
▸ POLA1 P09884 4/20 0.61
▸ SOD1 P00441 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ KARS1 Q15046 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL31678855 1.00 NR1H2 (0.70) NR1H2NR1H3POLA1SOD1POLB
SCHEMBL20561209 0.93 POLA1 (0.63) NR1H2NR1H3POLA1SOD1CYP2C9
SCHEMBL29295276 0.93 POLA1 (0.63) NR1H2NR1H3POLA1SOD1CYP2C9
SCHEMBL20561208 0.93 POLA1 (0.63) NR1H2NR1H3POLA1SOD1CYP2C9
SCHEMBL20560979 0.92 POLA1 (0.73) NR1H2NR1H3POLA1POLBAPEX1
SCHEMBL13208236 0.84 LMNA (0.62) NR1H2NR1H3POLA1SOD1POLB
Acetyl Podocarpic Acid Anhydride SCHEMBL31364127 0.82 NR1H2 (1.00) NR1H2NR1H3POLA1SOD1PDE4D
Acetyl Podocarpic Acid Anhydride SCHEMBL5538089 0.82 NR1H2 (1.00) NR1H2NR1H3POLA1SOD1PDE4D
SCHEMBL20561210 0.81 POLA1 (0.51) NR1H2NR1H3POLA1POLBAPEX1
SCHEMBL6312669 0.80 NR1H2 (1.00) NR1H2NR1H3POLA1SOD1

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-20180334426-A1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDES AND PROTEIN CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-11-22 — — 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-20180334426-A1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDES AND PROTEIN CONJUGATES THEREOF NR1H4, NR1H3, OGFR NR1H2 4/4885NR1H3 2/4885POLA1 2752/4885

“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.

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