SCHEMBL517636

SCHEMBL517636

C#Cc1ccc(CCOC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP2J2 P51589 1/20 0.40
PDE4D Q08499 1/20 0.40
ENPP2 Q13822 1/20 0.39
HDAC8 Q9BY41 2/20 0.35
FFAR1 O14842 1/20 0.35
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP4 Q13107 1/20 0.34
USP7 Q93009 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL16070685 0.88 CALM1 (0.35) HDAC8FFAR1ACACBHRH3
SCHEMBL1338713 0.82 NR3C1 (0.44) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL17450288 0.80 ACACB (0.33) HDAC8FFAR1TDP1ACACB
SCHEMBL5179689 0.79 HDAC8 (0.43) HDAC8FFAR1
SCHEMBL15165830 0.79 CYP2A6 (0.54)
SCHEMBL4060946 0.79 PTPN2 (0.36) HDAC8TDP1USP4USP7ACACB
SCHEMBL12344408 0.78 ACACB (0.41) HDAC8FFAR1ACACB
SCHEMBL4817978 0.77 NR3C1 (0.46) NR3C1ADRB2ADRB1CYP2D6ADRA1A
SCHEMBL24802638 0.76 FFAR1 (0.40) FFAR1ACACB
SCHEMBL16328931 0.76 MEN1 (0.43) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3192503-B1 NOVEL PHARMACEUTICAL COMPOSITION CONTAINING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-08-14 EP disclosed
EP-2975022-B1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-05-08 EP disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-3192505-A1 METHOD FOR USING NOVEL HYDROXAMIC ACID DERIVATIVE AND ANTIBACTERIAL SUBSTANCE IN COMBINATION TOYAMA CHEMICAL CO., LTD. (JP) 2017-07-19 EP disclosed
EP-3192503-A1 NOVEL PHARMACEUTICAL COMPOSITION CONTAINING HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2017-07-19 EP disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
WO-2014142298-A1 NOVEL HYDROXAMIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-09-18 WO disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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 (2 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY NR3C1 2056/4885ADRB2 3043/4885ADRB1 1874/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY NR3C1 2056/4885ADRB2 3043/4885ADRB1 1874/4885

“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.