SCHEMBL17685654

SCHEMBL17685654

C=CC=CCC=C(C)CCC=C(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
ALOX15 P16050 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 4/20 0.47
LSS P48449 2/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
GGPS1 O95749 2/20 0.43

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
SCHEMBL17685653 1.00 KMT2A (0.54) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL11472807 0.83 KMT2A (0.68) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL17332164 0.82 NR1I2 (0.61) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL8719931 0.81
SCHEMBL21986516 0.81 ALDH1A1 (0.57) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL61424 0.79 KMT2A (0.62) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL61423 0.79 KMT2A (0.62) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL3123287 0.78 KMT2A (0.67) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL3123285 0.78 KMT2A (0.67) KMT2AALOX15MEN1CYP3A4MAPT
SCHEMBL18897602 0.78 KMT2A (0.67) KMT2AALOX15MEN1CYP3A4MAPT

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-9663440-B2 Cross metathesis of poly-branched poly-olefins MATERIA, INC. (US) 2017-05-30 US disclosed
US-20160107980-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS MATERIA, INC. 2016-04-21 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-20160107980-A1 CROSS METATHESIS OF POLY-BRANCHED POLY-OLEFINS COASY, SQLE, FDFT1 KMT2A 3658/4885ALOX15 56/4885MEN1 504/4885

“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.