SCHEMBL4287149

SCHEMBL4287149

C=CCc1cc(C)cc(CC=C)[o+]1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
XDH P47989 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4283026 0.89 GAA (0.30) GAA
SCHEMBL1553874 0.70 ALDH1A1 (0.42) GAAALDH1A1PPARGPPARDPPARA
SCHEMBL12803940 0.69 NOS3 (0.34) ALDH1A1TSHRKMT2A
SCHEMBL327402 0.68 GAA (0.40) GAAALDH1A1PPARGPPARDPPARA
SCHEMBL9332613 0.65 GAA (0.53) GAASMN1; SMN2KMT2A
SCHEMBL29115719 0.65 PTPN1 (0.47) GAAALDH1A1PPARGPPARDXDH
SCHEMBL12802117 0.64 GAA (0.44) GAAALDH1A1SMN1; SMN2CYP3A4ALOX15
SCHEMBL5879482 0.64 CYP3A4 (0.50) GAAALDH1A1PPARGPPARDPPARA
SCHEMBL16950585 0.62 TACR1 (0.37) GAAALDH1A1PPARGPPARDPPARA
SCHEMBL8125707 0.62 ALDH1A1 (0.36) GAAALDH1A1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137045-A1 Pyridinium Cationic Lipids as Gene Transfer Agents BALABAN ALEXANDRU T 2009-05-28 US disclosed
US-7456197-B2 Pyridinium cationic lipids as gene transfer agents THE TEXAS A&M UNIVERSITY SYSTEM (US) 2008-11-25 US disclosed
US-20050196863-A1 Pyridinium cationic lipids as gene transfer agents TEXAS A & M UNIVERSITY, THE 2005-09-08 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 (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-20050196863-A1 Pyridinium cationic lipids as gene transfer agents PTDSS2, PLIN5, PTDSS1 GAA 3793/4885ALDH1A1 3086/4885PPARG 787/4885
US-20090137045-A1 Pyridinium Cationic Lipids as Gene Transfer Agents PTDSS2, PLIN5, PTDSS1 GAA 3793/4885ALDH1A1 3086/4885PPARG 787/4885

“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.