SCHEMBL730510

SCHEMBL730510

C=CC(=O)Oc1ccc2cc(C(=O)Cl)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EGFR P00533 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
JAK1 P23458 1/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 2/20 0.42
HGFAC Q04756 2/20 0.38
TMPRSS2 O15393 1/20 0.38

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
SCHEMBL3797234 0.85 THRB (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL819722 0.85 THRB (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL739363 0.84 KDM4E (0.61) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL30337649 0.84 KDM4E (0.61) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9346190 0.83 HTT (0.42) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL730512 0.83 KDM4E (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL19565624 0.83 KMT2A (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8840373 0.81 KDM4E (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12245560 0.81 THRB (0.50) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15302744 0.81 THRB (0.50) MAPTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179007-B1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM DU PONT (US) 2012-10-17 EP disclosed
EP-2179007-B1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM DU PONT (US) 2012-10-17 EP disclosed
US-8137582-B2 Alkaloid monomers, liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-20 US disclosed
US-8137582-B2 Alkaloid monomers, liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-20 US disclosed
US-8137582-B2 Alkaloid monomers, liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-20 US disclosed
US-20110193019-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-11 US disclosed
US-20110193019-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-11 US disclosed
US-20110193019-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-11 US disclosed
EP-2179007-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. du Pont de Nemours and Company (US) 2010-04-28 EP disclosed
WO-2009023762-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-19 WO disclosed
WO-2009023762-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-19 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 (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-20110193019-A1 ALKALOID MONOMERS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM BHMT, BHMT2, NOTUM MAPT 48/4885KDM4E 4290/4885MEN1 1058/4885

“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.