SCHEMBL3925909

SCHEMBL3925909

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL73471 0.84
SCHEMBL12468762 0.83 HSD17B10 (0.30) HSD17B10TDP1
SCHEMBL28131037 0.81 HSD17B10 (0.41) HSD17B10TDP1CES2CES1FFAR3
SCHEMBL1896137 0.81
SCHEMBL20819 0.81
SCHEMBL26065539 0.79 CES2 (0.42) HSD17B10TDP1CES2CES1
SCHEMBL9070600 0.79
Water SCHEMBL28130669 0.78
SCHEMBL28119866 0.78
SCHEMBL27265863 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098501-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE FLUORINE-CONTAINING CARBONYL-ENE PRODUCT CENTRAL GLASS CO LTD (JP) 2017-08-23 EP disclosed
EP-2572783-B1 Method of separating pentene-2 from a C5 cut containing pentene-2 and pentene-1 by selective oligomerisation of the pentene-1 IFP Energies Nouvelles (FR) 2014-11-12 EP disclosed
EP-2572783-A1 Method of separating pentene-2 from a C5 cut containing pentene-2 and pentene-1 by selective oligomerisation of the pentene-1 IFP Energies Nouvelles (FR) 2013-03-27 EP disclosed
US-20130072733-A1 METHOD OF SEPARATING PENTENE-2 FROM A C5 CUT CONTAINING PENTENE-2 AND PENTENE-1 BY SELECTIVE OLIGOMERIZATION OF PENTENE-1 IFP Energies Nouvelles (FR) 2013-03-21 US disclosed
EP-2035345-A2 ANTI-CAKING AGENT Construction Research and Technology GmbH (DE) 2009-03-18 EP disclosed
WO-2008000326-A2 ANTI-CAKING AGENT CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2008-01-03 WO disclosed
EP-0631588-A1 HYDROCARBON RESINS, PROCESSES FOR THEIR MANUFACTURE AND ADHESIVE COMPOSITIONS CONTAINING SUCH RESINS. EXXON CHEMICAL PATENTS INC (US) 1995-01-04 EP disclosed
WO-1993019097-A2 HYDROCARBON RESINS, PROCESSES FOR THEIR MANUFACTURE AND ADHESIVE COMPOSITIONS CONTAINING SUCH RESINS EXXON CHEMICAL PATENTS INC. (US) 1993-09-30 WO disclosed
EP-0174509-A2 A dispersing agent for coal-water slurry KURARAY CO., LTD. (JP) 1986-03-19 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 (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-20130072733-A1 METHOD OF SEPARATING PENTENE-2 FROM A C5 CUT CONTAINING PENTENE-2 AND PENTENE-1 BY SELECTIVE OLIGOMERIZATION OF PENTENE-1 C5, C9, OXER1 HSD17B10 281/4885TDP1 2068/4885CES2 1380/4885

“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.