SCHEMBL2552456

SCHEMBL2552456

[CH2]C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
ALOX15 P16050 3/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALDH1A1 P00352 1/20 0.64
UGT1A1 P22309 1/20 0.64
SQLE Q14534 7/20 0.61
KDM4E B2RXH2 1/20 0.57
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52

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
SCHEMBL701611 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL23452103 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL2780073 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL1219115 0.98 KMT2A (0.68) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL10815851 0.98 KMT2A (0.68) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL1219116 0.98 KMT2A (0.68) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL8850002 0.86 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL11290924 0.86 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL23581543 0.86 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL8013144 0.85 KMT2A (1.00) KMT2AALOX15MAPTMEN1CYP3A4

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-20210171489-A1 SYNTHESIS OF CHROMANOL AND 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES BASF SE (DE) 2021-06-10 US disclosed
CN-112888678-A Synthesis of chromanol and 2-methyl-1, 4-naphthoquinone derivatives 巴斯夫欧洲公司 2021-06-01 CN disclosed
EP-2556043-B1 NEW POLYTERPENE TYPE COMPOUNDS, COMPOSITIONS CONTAINING THEM AND TOPICAL USES THEREOF SEDERMA SA (FR) 2016-10-26 EP disclosed
EP-2556043-A2 NEW POLYTERPENE TYPE COMPOUNDS, COMPOSITIONS CONTAINING THEM AND TOPICAL USES THEREOF Sederma (FR) 2013-02-13 EP disclosed
WO-2011125040-A2 NEW POLYTERPENE TYPE COMPOUNDS, COMPOSITIONS CONTAINING THEM AND TOPICAL USES THEREOF SEDERMA (FR) 2011-10-13 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 (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-20210171489-A1 SYNTHESIS OF CHROMANOL AND 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES CYP4B1, CYP2J2, CYP1A2 KMT2A 461/4885ALOX15 2321/4885MAPT 3703/4885

“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.