SCHEMBL778225

SCHEMBL778225

CC(C)(C)c1cc(OC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.60
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ELANE P08246 1/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
ESRRA P11474 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 2/20 0.42
ESR1 P03372 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
SCHEMBL13463774 0.99 NR1H4 (0.59) NR1H4ALDH1A1GAAELANEMAPT
SCHEMBL14877882 0.95 NR1H4 (0.55) NR1H4ALDH1A1GAAMAPTKMT2A
SCHEMBL14092702 0.89 NR1H4 (0.47) NR1H4ALDH1A1GAAELANEMAPT
SCHEMBL777977 0.89 NR1H4 (0.52) NR1H4ALDH1A1GAAMAPTPOLB
SCHEMBL14453833 0.89 NR1H4 (0.50) NR1H4ALDH1A1GAAELANEMAPT
SCHEMBL17301254 0.88 NR1H4 (0.57) NR1H4GAAMAPTPOLBMAPK1
SCHEMBL13463776 0.88 KMT2A (0.57) NR1H4ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL14453820 0.88 NR1H4 (0.49) NR1H4ALDH1A1GAAELANEMAPT
SCHEMBL13463777 0.87 KMT2A (0.56) NR1H4ALDH1A1MAPTKDM4ETDP1
SCHEMBL12154224 0.87 NR1H4 (0.56) NR1H4ALDH1A1GAAMAPTPOLB

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404794-B2 Liquid crystal compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-03-26 US disclosed
US-8404794-B2 Liquid crystal compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-03-26 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-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-20120104316-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-03 US disclosed
US-20120104316-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-03 US disclosed
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-20100308268-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308268-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308269-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
EP-1366133-B1 NOVEL METHODS AND BLENDS FOR CONTROLLING REHOLOGY AND TRANSITION TEMPERATURE OF LIQUID CRYSTALS SOUTHWEST RES INST (US) 2010-03-24 EP disclosed
EP-1412447-B1 NOVEL MESOGENS AND METHODS FOR THEIR SYNTHESIS AND USE SOUTHWEST RES INST (US) 2008-09-10 EP disclosed
US-7238831-B2 Mesogens SOUTHWEST RESEARCH INSTITUTE (US) 2007-07-03 US disclosed
US-7238831-B2 Mesogens SOUTHWEST RESEARCH INSTITUTE (US) 2007-07-03 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 (4 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-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 NR1H4 4058/4885ALDH1A1 4071/4885GAA 4428/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 NR1H4 3771/4885ALDH1A1 3725/4885GAA 3652/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 NR1H4 2923/4885ALDH1A1 3089/4885GAA 4627/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 NR1H4 4058/4885ALDH1A1 4071/4885GAA 4428/4885

“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.