SCHEMBL4610328

SCHEMBL4610328

C=COCC=C(C)CCC=C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.50
UGT1A1 P22309 1/20 0.50
FNTA P49354 5/20 0.49
FNTB P49356 3/20 0.49
SQLE Q14534 4/20 0.48
PGGT1B P53609 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4610325 1.00 ALOX15 (0.56) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL30883778 1.00 ALOX15 (0.56) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL356732 0.81 KMT2A (0.62) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL114886 0.81 KMT2A (0.62) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL114887 0.81 KMT2A (0.62) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL9186021 0.81 KMT2A (0.63) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL3390995 0.80
SCHEMBL226426 0.80 ALDH1A1 (0.61) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL1865864 0.80 ALDH1A1 (0.61) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL226427 0.80 ALDH1A1 (0.61) ALOX15ALDH1A1KMT2AMEN1CYP3A4

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
EP-1294671-B1 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH & CIE (CH) 2008-10-15 EP disclosed
US-6949680-B2 Ketones as precursors of active compounds FIRMENICH SA (CH) 2005-09-27 US disclosed
US-20030129212-A1 Ketones as precursors of active compounds FIRMENICH SA (CH) 2003-07-10 US disclosed
EP-1294671-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2003-03-26 EP disclosed
WO-2001096272-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2001-12-20 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-20030129212-A1 Ketones as precursors of active compounds PKN3, PKM, FPR3 ALOX15 563/4885ALDH1A1 828/4885KMT2A 4194/4885

“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.