SCHEMBL22852147

SCHEMBL22852147

CCCCCCC(C)(C)COC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
HTT P42858 1/20 0.41
SOAT1 P35610 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
FFAR1 O14842 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 1/20 0.38
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
GGPS1 O95749 1/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL6896997 0.93 ALDH1A1 (0.50) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL14991419 0.87 LMNA (0.39) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL10087944 0.87 ALDH1A1 (0.56) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL20747725 0.83 MAPT (0.38) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL14991491 0.82 ALDH1A1 (0.48) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL12550586 0.80 ALDH1A1 (0.65) MAPTALDH1A1CYP4F2CYP4A11HTT
Octane SCHEMBL28246350 0.80 ALDH1A1 (0.72) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL27888706 0.79 DGKA (0.58) MEN1MAPTKMT2AALDH1A1DGKA
SCHEMBL6669210 0.79 DGKA (0.58) MEN1MAPTKMT2AALDH1A1DGKA
SCHEMBL18612749 0.79 DGKA (0.48) MEN1MAPTKMT2AATML3MBTL1

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 MEN1 4314/4885MAPT 1780/4885KMT2A 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.