SCHEMBL12411508

SCHEMBL12411508

O=C(CCCCCBr)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
HTT P42858 3/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
SLC22A2 O15244 1/20 0.46
TMPRSS2 O15393 1/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
F12 P00748 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPN P05981 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
SCHEMBL6863945 0.95 KMT2A (0.58) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL5792985 0.93 KMT2A (0.59) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL6863947 0.90 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL28410126 0.90 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL6866158 0.89 KMT2A (0.55) KMT2AHTTTP53TSHRHSD17B10
SCHEMBL12902938 0.88 KMT2A (0.51) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL5792981 0.88 KMT2A (0.54) KMT2APRSS1PRSS2PRSS3HTT
SCHEMBL1615177 0.87 TP53 (0.64) KMT2AHTTTP53TSHRMEN1
SCHEMBL7777446 0.87 TP53 (0.64) KMT2AHTTTP53TSHRMEN1
SCHEMBL622925 0.87 TP53 (0.64) KMT2AHTTTP53TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344175-B2 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-01 US disclosed
US-8344175-B2 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-01 US disclosed
US-8334393-B2 Chiral compounds and liquid crystal compositions and polymer networks derived therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-18 US disclosed
US-8334393-B2 Chiral compounds and liquid crystal compositions and polymer networks derived therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-18 US disclosed
US-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-07 US disclosed
US-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-07 US disclosed
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 US disclosed
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 US disclosed
US-7914700-B2 Liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-29 US disclosed
US-7914700-B2 Liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-29 US disclosed
US-7879256-B2 bis(meth)acrylates with esters linking mesogen to a flexible spacer and polymerizable (meth)acrylates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-01 US disclosed
US-7879256-B2 bis(meth)acrylates with esters linking mesogen to a flexible spacer and polymerizable (meth)acrylates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-01 US disclosed
US-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom GOLDFINGER MARC B 2007-11-22 US disclosed
US-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom GOLDFINGER MARC B 2007-11-22 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-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom F2, CCNB1, CYP2F1 KMT2A 3323/4885PRSS1 3250/4885PRSS2 2651/4885
US-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM CCNB1, F2, CYP4F11 KMT2A 3164/4885PRSS1 3871/4885PRSS2 3646/4885
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME THEM6, NOTUM, WEE1 KMT2A 3862/4885PRSS1 4185/4885PRSS2 3048/4885

“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.