SCHEMBL22852129

SCHEMBL22852129

CCCCCCCC(C)(CCCC)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
GGPS1 O95749 5/20 0.36
SMPD1 P17405 1/20 0.36
MAPK1 P28482 1/20 0.36
FDPS P14324 7/20 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
SCHEMBL20747638 1.00 LMNA (0.50) LMNAMAPTMEN1KMT2AATM
SCHEMBL20747636 0.91 LMNA (0.49) LMNAMAPTMEN1KMT2AATM
SCHEMBL21501080 0.85 MAPT (0.40) LMNAMAPTMEN1KMT2AATM
SCHEMBL20747681 0.84 LMNA (0.52) LMNAMAPTMEN1KMT2AATM
SCHEMBL27780045 0.84 LMNA (0.52) LMNAMAPTMEN1KMT2AATM
SCHEMBL20747697 0.84 LMNA (0.52) LMNAMAPTMEN1KMT2AATM
SCHEMBL17133402 0.83 LMNA (0.39) LMNAMAPTMEN1KMT2AATM
SCHEMBL1149679 0.81 LMNA (0.53) LMNAMAPTMEN1KMT2AATM
SCHEMBL12120676 0.81 LMNA (0.48) LMNAMAPTMEN1KMT2AATM
SCHEMBL28343581 0.81 LMNA (0.48) LMNAMAPTMEN1KMT2AATM

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 LMNA 2139/4885MAPT 1780/4885MEN1 4314/4885

“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.