SCHEMBL1003281

SCHEMBL1003281

CCCC(C)c1ccccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5332047 0.89 CYP3A4 (0.50) HTTIRAK4MAPTMEN1NR1I2
SCHEMBL23270712 0.87 LMNA (0.52) HTTIRAK4MAPTMEN1NR1I2
Hydrochloric Acid SCHEMBL30306662 0.87 CYP3A4 (0.49) HTTIRAK4MAPTMEN1NR1I2
SCHEMBL8526511 0.86 TSHR (0.55) HTTIRAK4MAPTMEN1NR1I2
SCHEMBL1380696 0.86 TSHR (0.55) HTTIRAK4MAPTMEN1NR1I2
SCHEMBL6859419 0.84 KMT2A (0.47) MAPTMEN1KMT2AHSD17B10KDM4E
SCHEMBL4301698 0.84 BCAT2 (0.41) HTTIRAK4MAPTMEN1NR1I2
SCHEMBL8095263 0.83 POLB (0.44) MEN1CYP3A4SLC6A3KMT2AKDM4E
SCHEMBL8102570 0.83 SMN1; SMN2 (0.42) MEN1CYP3A4SLC6A3KMT2AKDM4E
SCHEMBL3380036 0.82 IRAK4 (0.47) HTTIRAK4MAPTMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011307-A1 LATENT, HEAT-CURABLE EPOXY RESIN COMPOSITIONS CONTAINING METAL CARBOXYLATE CURING SYSTEMS HENKEL RESEARCH CORPORATION (US) 1992-07-09 WO claimed
US-8816070-B2 Triazole derivative as an HSP 90 inhibitor MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
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
US-20100113542-A1 TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR MERCK PATENT GESELLSCHAFT (DE) 2010-05-06 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 (3 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 HTT 3924/4885IRAK4 4013/4885MAPT 3226/4885
US-20100113542-A1 TRIAZOLE DERIVATIVE AS AN HSP 90 INHIBITOR HSP90AB1, HSP90AB2P, HSP90AA1 HTT 337/4885IRAK4 1503/4885MAPT 631/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HTT 3924/4885IRAK4 4013/4885MAPT 3226/4885

“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.