SCHEMBL20171227

SCHEMBL20171227

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
SQLE Q14534 7/20 0.56
ALOX15 P16050 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 1/20 0.55
UGT1A1 P22309 1/20 0.55
KDM4E B2RXH2 1/20 0.50
FNTA P49354 1/20 0.46
FNTB P49356 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
SCHEMBL1191493 0.92 TSHR (0.52) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL160736 0.86 KMT2A (0.64) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL83307 0.86 KMT2A (0.64) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL29462483 0.86 KMT2A (0.64) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL28588501 0.86 KMT2A (0.64) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL9474487 0.84 SQLE (0.70) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL9474498 0.84 SQLE (0.70) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL9446281 0.83 KMT2A (0.81) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL19571039 0.83 KMT2A (0.81) KMT2ASQLEALOX15MAPTMEN1
SCHEMBL7876849 0.83 TSHR (0.46) KMT2ASQLEALOX15MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193078-B2 Olefins and methods for making the same Amyris, Inc. (US) 2021-12-07 US disclosed
US-20190249101-A1 OLEFINS AND METHODS FOR MAKING THE SAME EUAGORE, LLC 2019-08-15 US disclosed
EP-2697186-B1 BASE OILS AND THEIR METHODS OF PRODUCTION AMYRIS INC (US) 2018-05-23 EP 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 (2 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-20190249101-A1 OLEFINS AND METHODS FOR MAKING THE SAME HSD17B10, DHCR7, HSD17B12 KMT2A 2965/4885SQLE 22/4885ALOX15 34/4885
US-11193078-B2 Olefins and methods for making the same HSD17B10, DHCR7, HSD17B12 KMT2A 2965/4885SQLE 22/4885ALOX15 34/4885

“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.