SCHEMBL22851998

SCHEMBL22851998

CCCCCCC(C)(C)C(C)OC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
FAAH O00519 1/20 0.36
SOAT1 P35610 1/20 0.35
CES2 O00748 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
SCHEMBL20747675 0.88 MAPT (0.37) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL22955323 0.87 MAPT (0.45) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20747661 0.85 LMNA (0.47) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20747618 0.85 LMNA (0.47) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL22951491 0.84 MAPT (0.43) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20747662 0.81 LMNA (0.39) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20747726 0.81 LMNA (0.39) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20747689 0.79 LMNA (0.36) MAPTMEN1KMT2AATML3MBTL1
SCHEMBL20747707 0.78 LMNA (0.42) LMNA
SCHEMBL18050592 0.76 MEN1 (0.41) MAPTMEN1KMT2AATML3MBTL1

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-20200407366-A1 10-(DI(PHENYL)METHYL)-4-HYDROXY-8,9,9A,10-TETRAHYDRO-7H-PYRROLO[1 ',2':4,5]PYRAZINO[1,2-B]PYRIDAZINE-3,5-DIONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE ORTHOMYXOVIRUS REPLICATION FOR TREATING INFLUENZA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC 2020-12-31 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-20200407366-A1 10-(DI(PHENYL)METHYL)-4-HYDROXY-8,9,9A,10-TETRAHYDRO-7H-PYRROLO[1 ',2':4,5]PYRAZINO[1,2-B]PYRIDAZINE-3,5-DIONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE ORTHOMYXOVIRUS REPLICATION FOR TREATING INFLUENZA MAVS, ZC3HAV1, EIF2AK2 MAPT 1780/4885MEN1 4314/4885KMT2A 1290/4885

“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.