SCHEMBL24479731

SCHEMBL24479731

CCOC(=O)Cn1ccc2c(C(=O)OC)cc(C)cc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.59
▸ ALDH1A1 P00352 8/20 0.45
▸ GAA P10253 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL14484902 0.73 ALDH1A1 (0.46) LMNAALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL7013723 0.73 POLB (0.58) LMNAALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL16115897 0.71 NR4A2 (0.51) LMNAGAAL3MBTL1NR4A2TSHR
SCHEMBL13261931 0.70 ALDH1A1 (0.54) LMNAALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL13261932 0.70 LMNA (0.53) LMNAALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL879966 0.69 ALDH1A1 (0.53) LMNAALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL3874161 0.69 ALDH1A1 (0.53) LMNAALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL16116137 0.69 NR4A2 (0.43) LMNAGAAL3MBTL1NR4A2TSHR
SCHEMBL849754 0.69 ALDH1A1 (0.52) LMNAALDH1A1GAAPOLBL3MBTL1
SCHEMBL17924282 0.69 ALDH1A1 (0.59) LMNAALDH1A1POLBL3MBTL1CYP1A2

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-20220169632-A1 METHODS AND MATERIALS FOR INCREASING OR MAINTAINING NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE-2 (NMNAT2) POLYPEPTIDE LEVELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-02 — — 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-20220169632-A1 METHODS AND MATERIALS FOR INCREASING OR MAINTAINING NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE-2 (NMNAT2) POLYPEPTIDE LEVELS NAMPT, NMT2, NNMT LMNA 642/4885ALDH1A1 1673/4885GAA 656/4885

“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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