SCHEMBL10054546

SCHEMBL10054546

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 1.00
PDE4A P27815 2/20 1.00
SNCA P37840 2/20 1.00
PDE3A Q14432 2/20 1.00
MAPT P10636 2/20 1.00
PGR P06401 1/20 1.00
HTR1A P08908 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
MAPK1 P28482 1/20 1.00
DRD3 P35462 1/20 1.00
MAOB P27338 2/20 0.67
LMNA P02545 2/20 0.66
ALOX5 P09917 8/20 0.52
DHODH Q02127 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50

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
Menaquinone 7 SCHEMBL15438185 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
SCHEMBL10055449 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
SCHEMBL14164356 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
SCHEMBL8709976 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
Menaquinone 7 SCHEMBL436068 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
Menatetrenone SCHEMBL571912 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
Menatetrenone SCHEMBL8703544 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
SCHEMBL571907 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
Menaquinone 6 SCHEMBL244452 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT
SCHEMBL14164358 1.00 PTGS1 (1.00) PTGS1PDE4ASNCAPDE3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240082198-A1 STABILIZED ALKYL NITRITE COMPOSITIONS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2024-03-14 US disclosed
US-20140031432-A1 TREATMENT OF MITOCHONDRIAL DISEASES WITH VITAMIN K AMPERE LIFE SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140031432-A1 TREATMENT OF MITOCHONDRIAL DISEASES WITH VITAMIN K AMPERE LIFE SCIENCES, INC. (US) 2014-01-30 US disclosed
US-20140031432-A1 TREATMENT OF MITOCHONDRIAL DISEASES WITH VITAMIN K AMPERE LIFE SCIENCES, INC. (US) 2014-01-30 US disclosed
WO-2012019032-A1 TREATMENT OF MITOCHONDRIAL DISEASES WITH VITAMIN K AMPERE LIFE SCIENCES, INC. (US) 2012-02-09 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 (2 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-20240082198-A1 STABILIZED ALKYL NITRITE COMPOSITIONS NDUFV2, NOS2, NDUFS3 PTGS1 524/4885PDE4A 1109/4885SNCA 463/4885
US-20140031432-A1 TREATMENT OF MITOCHONDRIAL DISEASES WITH VITAMIN K FH, COQ8A, BCKDK PTGS1 2269/4885PDE4A 2847/4885SNCA 653/4885

“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.