SCHEMBL14596290

SCHEMBL14596290

C=CC/C(=C\CO)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
ALOX15 P16050 3/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
ALDH1A1 P00352 1/20 0.63
UGT1A1 P22309 1/20 0.63
FNTA P49354 4/20 0.61
FNTB P49356 4/20 0.61
SQLE Q14534 7/20 0.56
PGGT1B P53609 1/20 0.56
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2816109 0.88 KMT2A (0.66) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL2813737 0.87 KMT2A (0.70) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL2814621 0.87 KMT2A (0.70) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL3671529 0.86 FNTA (0.60) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL3671531 0.86 FNTA (0.60) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL13129961 0.82 KMT2A (0.74) KMT2AALOX15MAPTMEN1CYP3A4
Geraniol SCHEMBL16346237 0.81 KMT2A (0.83) KMT2AALOX15MAPTMEN1CYP3A4
Geraniol SCHEMBL16346238 0.81 KMT2A (0.83) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL27539247 0.81 KMT2A (0.65) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9474308 0.80 KMT2A (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 US disclosed
US-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase PURDUE RESEARCH FOUNDATION (US) 2007-01-04 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-20070004803-A1 Compounds and methods for use in treating neoplasia and cancer based upon inhibitors of isoprenylcysteine methyltransferase BHMT, BHMT2, GNMT KMT2A 601/4885ALOX15 527/4885MAPT 2122/4885

“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.