SCHEMBL21552218

SCHEMBL21552218

C[C@]1(C(=O)OC(=O)C(F)(F)F)CCC[C@]2(C)c3cc(N)ccc3CC[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 11/20 0.64
▸ NR1H3 Q13133 11/20 0.64
▸ POLA1 P09884 6/20 0.52
▸ SOD1 P00441 1/20 0.51
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL29493569 0.87 SOD1 (0.60) NR1H2NR1H3POLA1SOD1CYP3A4
Trifluoroacetic Acid SCHEMBL28618126 0.87 SOD1 (0.60) NR1H2NR1H3POLA1SOD1CYP3A4
SCHEMBL24591823 0.85 SOD1 (0.69) NR1H2NR1H3POLA1SOD1CYP3A4
Trifluoroacetic Acid SCHEMBL21552217 0.84 POLA1 (0.63) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL21569919 0.84 NR1H2 (0.62) NR1H2NR1H3POLA1SOD1LMNA
SCHEMBL24591989 0.84 NR1H2 (0.62) NR1H2NR1H3POLA1SOD1LMNA
SCHEMBL2986350 0.81 LMNA (0.65) NR1H2NR1H3POLA1SOD1LMNA
SCHEMBL20561119 0.81 POLA1 (0.71) NR1H2NR1H3POLA1LMNACYP3A4
SCHEMBL21552174 0.79 NR1H2 (0.77) NR1H2NR1H3POLA1SOD1
SCHEMBL29295121 0.78 NR1H2 (0.56) NR1H2NR1H3POLA1SOD1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 — — EP disclosed
US-20230079407-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. 2023-03-16 — — US disclosed
EP-3790899-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-03-17 — — EP disclosed
WO-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 — — 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-20230079407-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF CD47, MSR1, LDLR NR1H2 195/4885NR1H3 128/4885POLA1 2693/4885

“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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