Squalene

Squalene

SCHEMBL4444267

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
SQLE Q14534 8/20 0.81
MAPT P10636 2/20 0.76
MEN1 O00255 2/20 0.76
CYP3A4 P08684 2/20 0.76
ALOX15 P16050 2/20 0.76
ALDH1A1 P00352 1/20 0.76
UGT1A1 P22309 1/20 0.76
KDM4E B2RXH2 1/20 0.67
FNTA P49354 1/20 0.59
FNTB P49356 1/20 0.59

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
Squalene SCHEMBL31125292 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL2799805 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL890053 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL8819997 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL8013144 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL23802597 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL39067 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL21639794 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL21823197 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4
Squalene SCHEMBL29525662 1.00 KMT2A (1.00) KMT2ASQLEMAPTMEN1CYP3A4

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-20090191226-A2 ADJUVANT FORMULATION COMPRISING A SUBMICRON OIL DROPLET EMULSION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-07-30 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-20090191226-A2 ADJUVANT FORMULATION COMPRISING A SUBMICRON OIL DROPLET EMULSION MYD88, CD14, IAPP KMT2A 3695/4885SQLE 138/4885MAPT 1396/4885

“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.