SCHEMBL1004740

SCHEMBL1004740

C=C(C)CCCCCC#N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 2/20 0.33
GBA1 P04062 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL23655258 1.00 TSHR (0.40) TSHRCYP1A2TDP1GBA1ALDH1A1
SCHEMBL1004124 0.90
SCHEMBL59578 0.80 TSHR (0.38) TSHRCYP1A2TDP1GBA1ALDH1A1
SCHEMBL59421 0.80 TSHR (0.38) TSHRCYP1A2TDP1GBA1ALDH1A1
SCHEMBL11292024 0.80 TSHR (0.38) TSHRCYP1A2TDP1GBA1ALDH1A1
SCHEMBL59073 0.80 TSHR (0.38) TSHRCYP1A2TDP1GBA1ALDH1A1
SCHEMBL60456 0.80 TSHR (0.38) TSHRCYP1A2TDP1GBA1ALDH1A1
SCHEMBL10458961 0.79
SCHEMBL8466765 0.79 TDP1 (0.41) TSHRTDP1ALDH1A1
SCHEMBL4797472 0.79 TDP1 (0.41) TSHRTDP1ALDH1A1

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-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 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 (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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B TSHR 4283/4885CYP1A2 1348/4885TDP1 3541/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TSHR 4283/4885CYP1A2 1348/4885TDP1 3541/4885

“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.