SCHEMBL777652

SCHEMBL777652

Cc1cc(OC(=O)c2ccc(O)cc2)ccc1-c1ccc(OC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.55
SENP1 Q9P0U3 1/20 0.46
KMT2A Q03164 5/20 0.44
LMNA P02545 2/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
NR1H4 Q96RI1 1/20 0.44
SLC2A1 P11166 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
EPHX1 P07099 1/20 0.42
ELANE P08246 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL13039041 0.96 HSD17B1 (0.51) HSD17B1SENP1KMT2ALMNAESR1
SCHEMBL777826 0.91 KMT2A (0.48) HSD17B1SENP1KMT2ALMNAESR1
SCHEMBL12332903 0.89 HSD17B1 (0.47) HSD17B1SENP1KMT2ALMNAESR1
SCHEMBL14877846 0.88 HSD17B1 (0.49) HSD17B1KMT2ALMNAESR2SLC2A1
SCHEMBL13039039 0.87 KMT2A (0.54) KMT2ALMNAESR1ESR2NR1H4
SCHEMBL767927 0.84 NR1H4 (0.51) HSD17B1SENP1KMT2ALMNAESR1
SCHEMBL15290365 0.83 SMN1; SMN2 (0.56) SENP1KMT2ALMNAESR1ESR2
SCHEMBL17826637 0.82 SENP1 (0.46) HSD17B1SENP1KMT2ALMNAESR1
SCHEMBL767555 0.81 NR1H4 (0.55) SENP1KMT2ALMNAESR1ESR2
SCHEMBL777651 0.81 SENP1 (0.61) HSD17B1SENP1KMT2ALMNAESR1

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 30 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-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS 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-20100308268-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
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS 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
US-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100264367-A1 Polymerizable liquid crystal compound, liquid crystal composition, and polymer JNC PETROCHEMICAL CORPORATION (JP) 2010-10-21 US disclosed
US-20100264367-A1 Polymerizable liquid crystal compound, liquid crystal composition, and polymer JNC PETROCHEMICAL CORPORATION (JP) 2010-10-21 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 (5 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 HSD17B1 3379/4885SENP1 4366/4885KMT2A 3598/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 HSD17B1 1803/4885SENP1 2504/4885KMT2A 3298/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 HSD17B1 1185/4885SENP1 4207/4885KMT2A 4073/4885
US-20100264367-A1 Polymerizable liquid crystal compound, liquid crystal composition, and polymer H1-2, H1-0, CPNE4 HSD17B1 2322/4885SENP1 4753/4885KMT2A 537/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 HSD17B1 3379/4885SENP1 4366/4885KMT2A 3598/4885

“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.