SCHEMBL1270899

SCHEMBL1270899

C=CC(C)=CCCC(C)=CCCC(=C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALOX15 P16050 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
UGT1A1 P22309 1/20 0.42
SQLE Q14534 6/20 0.41
LSS P48449 2/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL1270897 1.00 KMT2A (0.46) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL21954156 0.91 TSHR (0.48) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL2108765 0.91 TSHR (0.48) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL111818 0.91 TSHR (0.48) KMT2AALOX15MEN1CYP3A4ALDH1A1
Myrcene SCHEMBL6465671 0.88 TSHR (0.65) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL19177673 0.83 TSHR (0.42) ALDH1A1TSHR
SCHEMBL9956466 0.83 LSS (0.53) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9955815 0.83 LSS (0.53) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9954138 0.83 LSS (0.53) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL9954133 0.83 LSS (0.53) 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-20140148623-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2014-05-29 US disclosed
US-8450549-B2 Fuel compositions comprising isoprene derivatives DANISCO US INC. (US) 2013-05-28 US disclosed
EP-2448891-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES Danisco US Inc. (US) 2012-05-09 EP disclosed
US-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. 2011-02-24 US disclosed
WO-2010148256-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES DANISCO US INC. (US) 2010-12-23 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-20110046422-A1 FUEL COMPOSITIONS COMPRISING ISOPRENE DERIVATIVES GGPS1, FNTA, COASY KMT2A 4126/4885ALOX15 244/4885MAPT 3411/4885

“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.